2-[[2-[2-[4-[[(E)-2-azanyl-2-cyano-1-phenylazanyl-ethenyl]amino]phenyl]ethanoylamino]-4-methyl-pentanoyl]amino]-3-[4-(2-carboxyethyl)phenyl]propanoic acid

Systemtic Name: 2-[[2-[2-[4-[[(E)-2-azanyl-2-cyano-1-phenylazanyl-ethenyl]amino]phenyl]ethanoylamino]-4-methyl-pentanoyl]amino]-3-[4-(2-carboxyethyl)phenyl]propanoic acid Openeye Name: 2-[[2-[[2-[4-[[(E)-2-amino-1-anilino-2-cyano-vinyl]amino]phenyl]acetyl]amino]-4-methyl-pentanoyl]amino]-3-[4-(2-carboxyethyl)phenyl]propanoic acid CAS Name: 2-[[2-[[2-[4-[[(E)-2-amino-1-anilino-2-cyanoethenyl]amino]phenyl]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-[4-(2-carboxyethyl)phenyl]propanoic acid IUPAC Name: 2-[[2-[[2-[4-[[(E)-2-amino-1-anilino-2-cyanoethenyl]amino]phenyl]acetyl]amino]-4-methylpentanoyl]amino]-3-[4-(2-carboxyethyl)phenyl]propanoic acid Traditional Name: 2-[[2-[[2-[4-[[(E)-2-amino-1-anilino-2-cyano-vinyl]amino]phenyl]acetyl]amino]-4-methyl-pentanoyl]amino]-3-[4-(2-carboxyethyl)phenyl]propionic acid Formula: C35H40N6O6 MolecularWeight: 640.7287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)CCC(=O)O)C(=O)O)NC(=O)CC2=CC=C(C=C2)NC(=C(C#N)N)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)CCC(=O)O)C(=O)O)NC(=O)CC2=CC=C(C=C2)N/C(=C(\C#N)/N)/NC3=CC=CC=C3

InChI

InChI=1S/C35H40N6O6/c1-22(2)18-29(34(45)41-30(35(46)47)19-24-10-8-23(9-11-24)14-17-32(43)44)40-31(42)20-25-12-15-27(16-13-25)39-33(28(37)21-36)38-26-6-4-3-5-7-26/h3-13,15-16,22,29-30,38-39H,14,17-20,37H2,1-2H3,(H,40,42)(H,41,45)(H,43,44)(H,46,47)/b33-28+