(4S)-5-[[(2S)-1-[2-[(E)-4-[bis(phenylmethyl)amino]-4-oxidanylidene-but-2-enoyl]-2-(carboxymethyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-4-oxidanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-[2-[(E)-4-[bis(phenylmethyl)amino]-4-oxidanylidene-but-2-enoyl]-2-(carboxymethyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-[[(2S)-4-oxidanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-[[carboxymethyl-[(E)-4-(dibenzylamino)-4-oxo-but-2-enoyl]amino]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[2-[(E)-4-[bis(phenylmethyl)amino]-1,4-dioxobut-2-enyl]-2-(carboxymethyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-4-hydroxy-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[2-(carboxymethyl)-2-[(E)-4-(dibenzylamino)-4-oxobut-2-enoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-4-hydroxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-hydroxy-4-keto-butanoyl]amino]-5-[[(1S)-1-[[carboxymethyl-[(E)-4-(dibenzylamino)-4-keto-but-2-enoyl]amino]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C42H48N6O13 MolecularWeight: 844.86292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN(CC(=O)O)C(=O)C=CC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NN(CC(=O)O)C(=O)/C=C/C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C42H48N6O13/c1-27(2)38(45-39(57)31(18-21-35(51)52)43-40(58)32(22-36(53)54)44-42(60)61-26-30-16-10-5-11-17-30)41(59)46-48(25-37(55)56)34(50)20-19-33(49)47(23-28-12-6-3-7-13-28)24-29-14-8-4-9-15-29/h3-17,19-20,27,31-32,38H,18,21-26H2,1-2H3,(H,43,58)(H,44,60)(H,45,57)(H,46,59)(H,51,52)(H,53,54)(H,55,56)/b20-19+/t31-,32-,38-/m0/s1