quinolin-2-yl N-[(2S)-3-methyl-1-[2-[(2S,3S)-3-[[(2S)-3-methyl-2-(quinolin-2-yloxycarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-2-(phenylmethyl)hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: quinolin-2-yl N-[(2S)-3-methyl-1-[2-[(2S,3S)-3-[[(2S)-3-methyl-2-(quinolin-2-yloxycarbonylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-2-(phenylmethyl)hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: 2-quinolyl N-[(1S)-1-[[(1S,2S)-1-benzyl-3-[benzyl-[[(2S)-3-methyl-2-(2-quinolyloxycarbonylamino)butanoyl]amino]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-3-methyl-1-oxo-2-[[oxo(2-quinolinyloxy)methyl]amino]butyl]amino]-4-phenylbutyl]-2-(phenylmethyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid 2-quinolinyl ester IUPAC Name: quinolin-2-yl N-[(2S)-1-[2-benzyl-2-[(2S,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-(quinolin-2-yloxycarbonylamino)butanoyl]amino]-4-phenylbutyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S,2S)-1-benzyl-3-[benzyl-[[(2S)-3-methyl-2-(2-quinolyloxycarbonylamino)butanoyl]amino]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamic acid 2-quinolyl ester Formula: C47H51N7O7 MolecularWeight: 825.95054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OC3=NC4=CC=CC=C4C=C3)O)NC(=O)OC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OC3=NC4=CC=CC=C4C=C3)O)NC(=O)OC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C47H51N7O7/c1-30(2)42(51-46(58)60-40-25-23-34-19-11-13-21-36(34)48-40)44(56)50-38(27-32-15-7-5-8-16-32)39(55)29-54(28-33-17-9-6-10-18-33)53-45(57)43(31(3)4)52-47(59)61-41-26-24-35-20-12-14-22-37(35)49-41/h5-26,30-31,38-39,42-43,55H,27-29H2,1-4H3,(H,50,56)(H,51,58)(H,52,59)(H,53,57)/t38-,39-,42-,43-/m0/s1