tert-butyl N-[(E,4S,9S)-1-azanyl-9-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-(oxidanylamino)butanoyl]amino]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)-4-methyl-2-[[(2S)-3-methyl-2-(oxidanylamino)butanoyl]amino]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-(hydroxyamino)-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-(hydroxyamino)-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-(hydroxyamino)-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)-6-[[(2S)-2-[[(2S)-2-(hydroxyamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4,5-diketo-7-phenyl-hept-2-enyl]carbamic acid tert-butyl ester Formula: C32H49N5O8 MolecularWeight: 631.76016

Click to see the large picture

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)NO

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)NO

InChI

InChI=1S/C32H49N5O8/c1-19(2)17-24(36-30(42)27(37-44)20(3)4)29(41)35-23(18-21-11-9-8-10-12-21)28(40)25(38)15-13-22(14-16-26(33)39)34-31(43)45-32(5,6)7/h8-13,15,19-20,22-24,27,37,44H,14,16-18H2,1-7H3,(H2,33,39)(H,34,43)(H,35,41)(H,36,42)/b15-13+/t22-,23+,24+,27+/m1/s1