tert-butyl (4S)-5-[[(2S,3R)-1-[2-[(E)-4-[bis(phenylmethyl)amino]-4-oxidanylidene-but-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]hydrazinyl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (4S)-5-[[(2S,3R)-1-[2-[(E)-4-[bis(phenylmethyl)amino]-4-oxidanylidene-but-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]hydrazinyl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-5-[[(1S,2R)-1-[[(2-tert-butoxy-2-oxo-ethyl)-[(E)-4-(dibenzylamino)-4-oxo-but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S,3R)-1-[2-[(E)-4-[bis(phenylmethyl)amino]-1,4-dioxobut-2-enyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-[[(2S,3R)-1-[2-[(E)-4-(dibenzylamino)-4-oxobut-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate Traditional Name: (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-5-[[(1S,2R)-1-[[(2-tert-butoxy-2-keto-ethyl)-[(E)-4-(dibenzylamino)-4-keto-but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-keto-valeric acid tert-butyl ester Formula: C51H68N6O12 MolecularWeight: 957.11862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H68N6O12/c1-34(2)29-40(53-49(66)67-33-38-23-17-12-18-24-38)47(64)52-39(25-28-43(61)68-50(4,5)6)46(63)54-45(35(3)58)48(65)55-57(32-44(62)69-51(7,8)9)42(60)27-26-41(59)56(30-36-19-13-10-14-20-36)31-37-21-15-11-16-22-37/h10-24,26-27,34-35,39-40,45,58H,25,28-33H2,1-9H3,(H,52,64)(H,53,66)(H,54,63)(H,55,65)/b27-26+/t35-,39+,40+,45+/m1/s1