cyclohexyl (3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-4-(2-morpholin-4-ylethylamino)-4-oxidanylidene-butanoate

Systemtic Name: cyclohexyl (3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-4-(2-morpholin-4-ylethylamino)-4-oxidanylidene-butanoate Openeye Name: cyclohexyl (3S)-3-[[(2R)-2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]-4-(2-morpholinoethylamino)-4-oxo-butanoate CAS Name: (3S)-3-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]-4-[2-(4-morpholinyl)ethylamino]-4-oxobutanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]-4-(2-morpholin-4-ylethylamino)-4-oxobutanoate Traditional Name: (3S)-3-[[(2R)-2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoyl]amino]-4-keto-4-(2-morpholinoethylamino)butyric acid cyclohexyl ester Formula: C43H56N4O7S MolecularWeight: 772.99234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(CC(=O)OC4CCCCC4)C(=O)NCCN5CCOCC5

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N[C@@H](CC(=O)OC4CCCCC4)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C43H56N4O7S/c1-42(2,3)54-41(51)46-37(31-55-43(32-16-8-4-9-17-32,33-18-10-5-11-19-33)34-20-12-6-13-21-34)40(50)45-36(30-38(48)53-35-22-14-7-15-23-35)39(49)44-24-25-47-26-28-52-29-27-47/h4-6,8-13,16-21,35-37H,7,14-15,22-31H2,1-3H3,(H,44,49)(H,45,50)(H,46,51)/t36-,37-/m0/s1