N-[(3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-nitro-5-(2-oxidanylidenepyrrolidin-1-yl)benzamide; methanoic acid

Systemtic Name: N-[(3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-nitro-5-(2-oxidanylidenepyrrolidin-1-yl)benzamide; methanoic acid Openeye Name: N-[(2R)-1-benzyl-3-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-propyl]-3-nitro-5-(2-oxopyrrolidin-1-yl)benzamide; formic acid CAS Name: N-[(3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-nitro-5-(2-oxo-1-pyrrolidinyl)benzamide; formic acid IUPAC Name: N-[(3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-nitro-5-(2-oxopyrrolidin-1-yl)benzamide; formic acid Traditional Name: N-[(2R)-1-benzyl-3-[[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]amino]-2-hydroxy-propyl]-3-(2-ketopyrrolidino)-5-nitro-benzamide; formic acid Formula: C31H41N5O8 MolecularWeight: 611.68594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])N4CCCC4=O)O.C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)NC[C@H](C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])N4CCCC4=O)O.C(=O)O

InChI

InChI=1S/C30H39N5O6.CH2O2/c1-20(29(38)32-23-11-6-3-7-12-23)31-19-27(36)26(15-21-9-4-2-5-10-21)33-30(39)22-16-24(18-25(17-22)35(40)41)34-14-8-13-28(34)37;2-1-3/h2,4-5,9-10,16-18,20,23,26-27,31,36H,3,6-8,11-15,19H2,1H3,(H,32,38)(H,33,39);1H,(H,2,3)/t20-,26?,27+;/m0./s1