(4S)-5-[[(2S)-1-[2-(carboxymethyl)-2-[(E)-4-[(4-fluorophenyl)methylamino]-4-oxidanylidene-but-2-enoyl]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-(carboxymethyl)-2-[(E)-4-[(4-fluorophenyl)methylamino]-4-oxidanylidene-but-2-enoyl]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-[(4-fluorophenyl)methylamino]-4-oxo-but-2-enoyl]amino]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[2-(carboxymethyl)-2-[(E)-4-[(4-fluorophenyl)methylamino]-1,4-dioxobut-2-enyl]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-[(4-fluorophenyl)methylamino]-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-[(4-fluorobenzyl)amino]-4-keto-but-2-enoyl]amino]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C35H41FN6O13 MolecularWeight: 772.730843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN(CC(=O)O)C(=O)C=CC(=O)NCC1=CC=C(C=C1)F)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NN(CC(=O)O)C(=O)/C=C/C(=O)NCC1=CC=C(C=C1)F)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C35H41FN6O13/c1-20(2)31(34(53)41-42(18-30(49)50)27(44)14-13-26(43)37-17-21-8-10-23(36)11-9-21)40-32(51)24(12-15-28(45)46)38-33(52)25(16-29(47)48)39-35(54)55-19-22-6-4-3-5-7-22/h3-11,13-14,20,24-25,31H,12,15-19H2,1-2H3,(H,37,43)(H,38,52)(H,39,54)(H,40,51)(H,41,53)(H,45,46)(H,47,48)(H,49,50)/b14-13+/t24-,25-,31-/m0/s1