quinolin-2-ylmethyl N-[(2S)-3-methyl-1-[[(2S,3R)-4-[[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: quinolin-2-ylmethyl N-[(2S)-3-methyl-1-[[(2S,3R)-4-[[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: 2-quinolylmethyl N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(2S)-3-methyl-1-oxo-2-[[oxo(2-quinolinylmethoxy)methyl]amino]butyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: quinolin-2-ylmethyl N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamic acid 2-quinolylmethyl ester Formula: C41H53N5O7 MolecularWeight: 727.88882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CNCC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C41H53N5O7/c1-27(2)37(46-39(50)52-26-31-21-20-30-18-12-13-19-32(30)43-31)38(49)44-33(22-28-14-8-6-9-15-28)35(47)24-42-25-36(48)34(23-29-16-10-7-11-17-29)45-40(51)53-41(3,4)5/h6-21,27,33-37,42,47-48H,22-26H2,1-5H3,(H,44,49)(H,45,51)(H,46,50)/t33-,34-,35+,36+,37-/m0/s1