2-azanyl-3-[[2-[bis(2-azanyl-3-phenyl-propanoyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[2-[bis(2-azanyl-3-phenyl-propanoyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid Openeye Name: 2-amino-3-[[2-[bis(2-amino-3-phenyl-propanoyl)amino]-3-hydroxy-3-oxo-propyl]disulfanyl]propanoic acid CAS Name: 2-amino-3-[[2-[bis(2-amino-1-oxo-3-phenylpropyl)amino]-3-hydroxy-3-oxopropyl]disulfanyl]propanoic acid IUPAC Name: 2-amino-3-[[2-[bis(2-amino-3-phenylpropanoyl)amino]-3-hydroxy-3-oxopropyl]disulfanyl]propanoic acid Traditional Name: 2-amino-3-[[2-(diphenylalanylamino)-3-hydroxy-3-keto-propyl]disulfanyl]propionic acid Formula: C24H30N4O6S2 MolecularWeight: 534.6482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N(C(CSSCC(C(=O)O)N)C(=O)O)C(=O)C(CC2=CC=CC=C2)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N(C(CSSCC(C(=O)O)N)C(=O)O)C(=O)C(CC2=CC=CC=C2)N)N

InChI

InChI=1S/C24H30N4O6S2/c25-17(11-15-7-3-1-4-8-15)21(29)28(22(30)18(26)12-16-9-5-2-6-10-16)20(24(33)34)14-36-35-13-19(27)23(31)32/h1-10,17-20H,11-14,25-27H2,(H,31,32)(H,33,34)