tert-butyl (4S)-5-[[(2S)-1-[2-[(Z)-4-ethoxy-4-oxidanylidene-but-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (4S)-5-[[(2S)-1-[2-[(Z)-4-ethoxy-4-oxidanylidene-but-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-[[(2-tert-butoxy-2-oxo-ethyl)-[(Z)-4-ethoxy-4-oxo-but-2-enoyl]amino]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S)-1-[2-[(Z)-4-ethoxy-1,4-dioxobut-2-enyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-[[(2S)-1-[2-[(Z)-4-ethoxy-4-oxobut-2-enoyl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoate Traditional Name: (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-keto-butanoyl]amino]-5-[[(1S)-1-[[(2-tert-butoxy-2-keto-ethyl)-[(Z)-4-ethoxy-4-keto-but-2-enoyl]amino]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid tert-butyl ester Formula: C42H63N5O14 MolecularWeight: 861.97472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)N(CC(=O)OC(C)(C)C)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C\C(=O)N(CC(=O)OC(C)(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C42H63N5O14/c1-13-57-31(49)22-20-30(48)47(24-34(52)61-42(10,11)12)46-38(55)35(26(2)3)45-36(53)28(19-21-32(50)59-40(4,5)6)43-37(54)29(23-33(51)60-41(7,8)9)44-39(56)58-25-27-17-15-14-16-18-27/h14-18,20,22,26,28-29,35H,13,19,21,23-25H2,1-12H3,(H,43,54)(H,44,56)(H,45,53)(H,46,55)/b22-20-/t28-,29-,35-/m0/s1