3-[[6-azanyl-2-[(2-azanyl-3-methyl-butanoyl)-(3-phenylpropanoyl)amino]hexanoyl]amino]-3-cyano-propanoic acid

Systemtic Name: 3-[[6-azanyl-2-[(2-azanyl-3-methyl-butanoyl)-(3-phenylpropanoyl)amino]hexanoyl]amino]-3-cyano-propanoic acid Openeye Name: 3-[[6-amino-2-[(2-amino-3-methyl-butanoyl)-(3-phenylpropanoyl)amino]hexanoyl]amino]-3-cyano-propanoic acid CAS Name: 3-[[6-amino-2-[(2-amino-3-methyl-1-oxobutyl)-(1-oxo-3-phenylpropyl)amino]-1-oxohexyl]amino]-3-cyanopropanoic acid IUPAC Name: 3-[[6-amino-2-[(2-amino-3-methylbutanoyl)-(3-phenylpropanoyl)amino]hexanoyl]amino]-3-cyanopropanoic acid Traditional Name: 3-[[6-amino-2-[(2-amino-3-methyl-butanoyl)-hydrocinnamoyl-amino]hexanoyl]amino]-3-cyano-propionic acid Formula: C24H35N5O5 MolecularWeight: 473.5652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C(CCCCN)C(=O)NC(CC(=O)O)C#N)C(=O)CCC1=CC=CC=C1)N

Isomeric SMILES

CC(C)C(C(=O)N(C(CCCCN)C(=O)NC(CC(=O)O)C#N)C(=O)CCC1=CC=CC=C1)N

InChI

InChI=1S/C24H35N5O5/c1-16(2)22(27)24(34)29(20(30)12-11-17-8-4-3-5-9-17)19(10-6-7-13-25)23(33)28-18(15-26)14-21(31)32/h3-5,8-9,16,18-19,22H,6-7,10-14,25,27H2,1-2H3,(H,28,33)(H,31,32)