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

Systemtic Name: (4S)-5-[[(2S,3R)-1-[2-(carboxymethyl)-2-[(E)-4-[methyl-(phenylmethyl)amino]-4-oxidanylidene-but-2-enoyl]hydrazinyl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S,2R)-1-[[[(E)-4-[benzyl(methyl)amino]-4-oxo-but-2-enoyl]-(carboxymethyl)amino]carbamoyl]-2-hydroxy-propyl]amino]-4-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S,3R)-1-[2-(carboxymethyl)-2-[(E)-4-[methyl-(phenylmethyl)amino]-1,4-dioxobut-2-enyl]hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S,3R)-1-[2-[(E)-4-[benzyl(methyl)amino]-4-oxobut-2-enoyl]-2-(carboxymethyl)hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S,2R)-1-[[[(E)-4-[benzyl(methyl)amino]-4-keto-but-2-enoyl]-(carboxymethyl)amino]carbamoyl]-2-hydroxy-propyl]amino]-4-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-5-keto-valeric acid Formula: C37H48N6O12 MolecularWeight: 768.81002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NN(CC(=O)O)C(=O)C=CC(=O)N(C)CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@@H](C(=O)NN(CC(=O)O)C(=O)/C=C/C(=O)N(C)CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C37H48N6O12/c1-23(2)19-28(39-37(54)55-22-26-13-9-6-10-14-26)35(52)38-27(15-18-31(47)48)34(51)40-33(24(3)44)36(53)41-43(21-32(49)50)30(46)17-16-29(45)42(4)20-25-11-7-5-8-12-25/h5-14,16-17,23-24,27-28,33,44H,15,18-22H2,1-4H3,(H,38,52)(H,39,54)(H,40,51)(H,41,53)(H,47,48)(H,49,50)/b17-16+/t24-,27+,28+,33+/m1/s1