2-[[1-[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-[6-amino-2-[(2-amino-3-phenyl-propanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[6-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-[6-amino-2-(phenylalanylamino)hexanoyl]prolyl]amino]-4-(methylthio)butyric acid Formula: C25H39N5O5S MolecularWeight: 521.67266

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C25H39N5O5S/c1-36-15-12-20(25(34)35)29-23(32)21-11-7-14-30(21)24(33)19(10-5-6-13-26)28-22(31)18(27)16-17-8-3-2-4-9-17/h2-4,8-9,18-21H,5-7,10-16,26-27H2,1H3,(H,28,31)(H,29,32)(H,34,35)