(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(8-oxidanylquinolin-2-yl)propanoyl]amino]-3-methyl-butanoyl]-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(8-oxidanylquinolin-2-yl)propanoyl]amino]-3-methyl-butanoyl]-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(8-hydroxy-2-quinolyl)propanoyl]amino]-3-methyl-butanoyl]-N-[(1R)-2-[[(1S)-2-[[(1R)-2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(8-hydroxy-2-quinolinyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(8-hydroxyquinolin-2-yl)propanoyl]amino]-3-methylbutanoyl]-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(8-hydroxy-2-quinolyl)propanoyl]amino]-3-methyl-butanoyl]-N-[(1R)-2-[[(1S)-2-[[(1R)-2-[(2-amino-2-keto-ethyl)amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]pyrrolidine-2-carboxamide Formula: C41H53N9O10S MolecularWeight: 863.97882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CS)C(=O)NCC(=O)N)NC(=O)C(CC3=NC4=C(C=CC=C4O)C=C3)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CS)C(=O)NCC(=O)N)NC(=O)[C@H](CC3=NC4=C(C=CC=C4O)C=C3)NC(=O)C

InChI

InChI=1S/C41H53N9O10S/c1-22(2)34(49-38(57)28(44-23(3)52)18-26-15-14-25-11-7-13-32(53)35(25)45-26)41(60)50-16-8-12-31(50)40(59)47-29(20-51)39(58)46-27(17-24-9-5-4-6-10-24)37(56)48-30(21-61)36(55)43-19-33(42)54/h4-7,9-11,13-15,22,27-31,34,51,53,61H,8,12,16-21H2,1-3H3,(H2,42,54)(H,43,55)(H,44,52)(H,46,58)(H,47,59)(H,48,56)(H,49,57)/t27-,28-,29+,30-,31-,34-/m0/s1