tert-butyl (4S)-5-[[(2S,3R)-1-[2-[(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-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-(3,4-dihydro-2H-quinolin-1-yl)-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-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S,3R)-1-[2-[(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-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-(3,4-dihydro-2H-quinolin-1-yl)-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-(3,4-dihydro-2H-quinolin-1-yl)-4-keto-but-2-enoyl]amino]carbamoyl]-2-hydroxy-propyl]amino]-5-keto-valeric acid tert-butyl ester Formula: C46H64N6O12 MolecularWeight: 893.03336

Click to see the large picture

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)N1CCCC2=CC=CC=C21)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)N1CCCC2=CC=CC=C21)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/C46H64N6O12/c1-29(2)26-34(48-44(61)62-28-31-16-11-10-12-17-31)42(59)47-33(21-24-38(56)63-45(4,5)6)41(58)49-40(30(3)53)43(60)50-52(27-39(57)64-46(7,8)9)37(55)23-22-36(54)51-25-15-19-32-18-13-14-20-35(32)51/h10-14,16-18,20,22-23,29-30,33-34,40,53H,15,19,21,24-28H2,1-9H3,(H,47,59)(H,48,61)(H,49,58)(H,50,60)/b23-22+/t30-,33+,34+,40+/m1/s1