tert-butyl N-[(E,4S,9S)-1-azanyl-9-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-1,7,8-tris(oxidanylidene)-10-phenyl-dec-5-en-4-yl]carbamate

Systemtic Name: tert-butyl N-[(E,4S,9S)-1-azanyl-9-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-1,7,8-tris(oxidanylidene)-10-phenyl-dec-5-en-4-yl]carbamate Openeye Name: tert-butyl N-[(E,1S,6S)-1-(3-amino-3-oxo-propyl)-6-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4,5-dioxo-7-phenyl-hept-2-enyl]carbamate CAS Name: N-[(E,4S,9S)-1-amino-9-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,7,8-trioxo-10-phenyldec-5-en-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,4S,9S)-1-amino-9-[[(2S)-2-[[(2S)-2-(methoxyamino)-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-1,7,8-trioxo-10-phenyldec-5-en-4-yl]carbamate Traditional Name: N-[(E,1S,6S)-1-(3-amino-3-keto-propyl)-4,5-diketo-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: C33H51N5O8 MolecularWeight: 645.78674

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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(CCC(=O)N)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](CCC(=O)N)NC(=O)OC(C)(C)C)NC(=O)[C@H](C(C)C)NOC

InChI

InChI=1S/C33H51N5O8/c1-20(2)18-25(37-31(43)28(21(3)4)38-45-8)30(42)36-24(19-22-12-10-9-11-13-22)29(41)26(39)16-14-23(15-17-27(34)40)35-32(44)46-33(5,6)7/h9-14,16,20-21,23-25,28,38H,15,17-19H2,1-8H3,(H2,34,40)(H,35,44)(H,36,42)(H,37,43)/b16-14+/t23-,24+,25+,28+/m1/s1