1.0 2011-09-21 01:52:37 UTC 2015-07-21 06:59:40 UTC FDB029250 Neuromedin N Neuromedin N is a neuropeptide derived from the same precursor polypeptide as neurotensin, and with similar but subtly distinct expression and effects. [HMDB] Ile-Pro-Tyr-Ile-Leu NN C32H51N5O7 617.7766 617.378849011 (2S)-2-[(2R,3R)-2-[(2S)-2-{[(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-methylpentanoic acid (2S)-2-[(2R,3R)-2-[(2S)-2-{[(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-methylpentanoic acid 102577-25-3 CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O InChI=1S/C32H51N5O7/c1-7-19(5)26(33)31(42)37-15-9-10-25(37)29(40)34-23(17-21-11-13-22(38)14-12-21)28(39)36-27(20(6)8-2)30(41)35-24(32(43)44)16-18(3)4/h11-14,18-20,23-27,38H,7-10,15-17,33H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)(H,43,44)/t19-,20-,23+,24+,25+,26-,27-/m1/s1 NSLIVCMCAULZET-WFJLUAAKSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Isoleucine and derivatives Leucine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Phenylalanine and derivatives Proline and derivatives Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Isoleucine or derivatives Leucine or derivatives Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid N-acylpyrrolidine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Tertiary carboxylic acid amide Tyrosine or derivatives Solid logp 0.11 ALOGPS logs -4.42 ALOGPS solubility 2.38e-02 g/l ALOGPS logp 0.55 ChemAxon pka_strongest_acidic 3.81 ChemAxon pka_strongest_basic 8.18 ChemAxon iupac (2S)-2-[(2R,3R)-2-[(2S)-2-{[(2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-methylpentanoic acid ChemAxon average_mass 617.7766 ChemAxon mono_mass 617.378849011 ChemAxon smiles CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O ChemAxon formula C32H51N5O7 ChemAxon inchi InChI=1S/C32H51N5O7/c1-7-19(5)26(33)31(42)37-15-9-10-25(37)29(40)34-23(17-21-11-13-22(38)14-12-21)28(39)36-27(20(6)8-2)30(41)35-24(32(43)44)16-18(3)4/h11-14,18-20,23-27,38H,7-10,15-17,33H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)(H,43,44)/t19-,20-,23+,24+,25+,26-,27-/m1/s1 ChemAxon inchikey NSLIVCMCAULZET-WFJLUAAKSA-N ChemAxon polar_surface_area 191.16 ChemAxon refractivity 164.84 ChemAxon polarizability 66.55 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 295993 Specdb::MsMs 295994 Specdb::MsMs 295995 Specdb::MsMs 337174 Specdb::MsMs 337175 Specdb::MsMs 337176 Specdb::MsMs 2459557 Specdb::MsMs 2459558 Specdb::MsMs 2459559 Specdb::MsMs 2475557 Specdb::MsMs 2475558 Specdb::MsMs 2475559 Specdb::CMs 13609 Specdb::CMs 40033 Specdb::CMs 540922 Specdb::CMs 540923 Specdb::CMs 540924 Specdb::CMs 540925 Specdb::CMs 540926 Specdb::CMs 540927 Specdb::CMs 540928 Specdb::CMs 540929 Specdb::CMs 540930 Specdb::CMs 540931 Specdb::CMs 540932 Specdb::CMs 540933 Specdb::CMs 540934 Specdb::CMs 540935 Specdb::CMs 540936 Specdb::CMs 540937 Specdb::CMs 540938 Specdb::CMs 540939 Specdb::CMs 540940 Specdb::CMs 540941 Specdb::CMs 540942 Specdb::CMs 540943 Specdb::CMs 540944 HMDB13022