Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Serine, 4-L-tyrosine analogue 

AlkaPlorer ID: AK055948

Synonym: Glycylserylprolyltyrosylphenylalanylvalinamide, Helix aspersa Peptide Ha3 

IUPAC Name: 1-[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]-N-[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Structure

SMILES: CC(C)C(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(N)=O

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InChI: InChI=1S/C33H45N7O8/c1-19(2)28(29(35)44)39-31(46)24(15-20-7-4-3-5-8-20)37-30(45)23(16-21-10-12-22(42)13-11-21)38-32(47)26-9-6-14-40(26)33(48)25(18-41)36-27(43)17-34/h3-5,7-8,10-13,19,23-26,28,41-42H,6,9,14-18,34H2,1-2H3,(H2,35,44)(H,36,43)(H,37,45)(H,38,47)(H,39,46)

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InChIKey: DKBKDGKDQNFXLP-UHFFFAOYSA-N

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Reference

PubChem CID: 86173574

COCONUT: CNP0018392

Properties Information

Molecule Weight: 667.7640000000001

TPSA: 246.28

MolLogP: -1.8000999999999916

Number of H-Donors: 8

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information