methyl (2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]-6-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]-6-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-6-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]hexanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxo-6-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]hexyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]-6-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-6-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]hexanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C43H57N5O9S MolecularWeight: 820.00578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NC(CCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C43H57N5O9S/c1-43(2,3)57-42(54)47-34(24-26-58-5)39(51)45-33(38(50)46-36(40(52)55-4)28-31-19-11-7-12-20-31)23-15-16-25-44-37(49)35(27-30-17-9-6-10-18-30)48-41(53)56-29-32-21-13-8-14-22-32/h6-14,17-22,33-36H,15-16,23-29H2,1-5H3,(H,44,49)(H,45,51)(H,46,50)(H,47,54)(H,48,53)/t33-,34-,35-,36-/m0/s1