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

Systemtic Name: tert-butyl (4S)-4-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[[(2S,3R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-[(E)-4-oxidanylidene-4-(phenethylamino)but-2-enoyl]hydrazinyl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]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-oxo-4-(phenethylamino)but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S,3R)-1-[2-[(E)-1,4-dioxo-4-(phenethylamino)but-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)-3-hydroxy-1-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-[(E)-4-oxo-4-(phenethylamino)but-2-enoyl]hydrazinyl]-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-keto-4-(phenethylamino)but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-keto-valeric acid tert-butyl ester Formula: C45H64N6O12 MolecularWeight: 881.02266

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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)NCCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@@H](C(=O)NN(CC(=O)OC(C)(C)C)C(=O)/C=C/C(=O)NCCC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C45H64N6O12/c1-29(2)26-34(48-43(60)61-28-32-18-14-11-15-19-32)41(58)47-33(20-23-37(55)62-44(4,5)6)40(57)49-39(30(3)52)42(59)50-51(27-38(56)63-45(7,8)9)36(54)22-21-35(53)46-25-24-31-16-12-10-13-17-31/h10-19,21-22,29-30,33-34,39,52H,20,23-28H2,1-9H3,(H,46,53)(H,47,58)(H,48,60)(H,49,57)(H,50,59)/b22-21+/t30-,33+,34+,39+/m1/s1