tert-butyl N-[(E,3S,8S)-8-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-1-methylsulfonyl-6,7-bis(oxidanylidene)-9-phenyl-non-4-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E,3S,8S)-8-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-1-methylsulfonyl-6,7-bis(oxidanylidene)-9-phenyl-non-4-en-3-yl]carbamate Openeye Name: tert-butyl N-[(E,1S,6S)-6-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-1-(2-methylsulfonylethyl)-4,5-dioxo-7-phenyl-hept-2-enyl]carbamate CAS Name: N-[(E,3S,8S)-8-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-methylsulfonyl-6,7-dioxo-9-phenylnon-4-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,3S,8S)-8-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-1-methylsulfonyl-6,7-dioxo-9-phenylnon-4-en-3-yl]carbamate Traditional Name: N-[(E,1S,6S)-4,5-diketo-1-(2-mesylethyl)-6-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-7-phenyl-hept-2-enyl]carbamic acid tert-butyl ester Formula: C33H52N4O9S MolecularWeight: 680.85238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)C(=O)C=CC(CCS(=O)(=O)C)NC(=O)OC(C)(C)C)NC(=O)C(C(C)C)NOC

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(=O)/C=C/[C@H](CCS(=O)(=O)C)NC(=O)OC(C)(C)C)NC(=O)[C@H](C(C)C)NOC

InChI

InChI=1S/C33H52N4O9S/c1-21(2)19-26(36-31(41)28(22(3)4)37-45-8)30(40)35-25(20-23-13-11-10-12-14-23)29(39)27(38)16-15-24(17-18-47(9,43)44)34-32(42)46-33(5,6)7/h10-16,21-22,24-26,28,37H,17-20H2,1-9H3,(H,34,42)(H,35,40)(H,36,41)/b16-15+/t24-,25+,26+,28+/m1/s1