cyclohexyl (3S)-4-[2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-(3-oxidanylidene-3-phenylmethoxy-propanoyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: cyclohexyl (3S)-4-[2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-(3-oxidanylidene-3-phenylmethoxy-propanoyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: cyclohexyl (3S)-4-[2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-(3-benzyloxy-3-oxo-propanoyl)amino]ethyl-(2-tert-butoxy-2-oxo-ethyl)amino]-3-(benzyloxycarbonylamino)-4-oxo-butanoate CAS Name: (3S)-4-[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-(1,3-dioxo-3-phenylmethoxypropyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (3S)-4-[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-(3-oxo-3-phenylmethoxypropanoyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: (3S)-4-[2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]-(3-benzoxy-3-keto-propanoyl)amino]ethyl-(2-tert-butoxy-2-keto-ethyl)amino]-3-(benzyloxycarbonylamino)-4-keto-butyric acid cyclohexyl ester Formula: C45H56N4O11 MolecularWeight: 828.94634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(CCN(C(CC1=CC=CC=C1)C(=O)N)C(=O)CC(=O)OCC2=CC=CC=C2)C(=O)C(CC(=O)OC3CCCCC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN(CCN([C@@H](CC1=CC=CC=C1)C(=O)N)C(=O)CC(=O)OCC2=CC=CC=C2)C(=O)[C@H](CC(=O)OC3CCCCC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C45H56N4O11/c1-45(2,3)60-41(53)29-48(43(55)36(27-40(52)59-35-22-14-7-15-23-35)47-44(56)58-31-34-20-12-6-13-21-34)24-25-49(37(42(46)54)26-32-16-8-4-9-17-32)38(50)28-39(51)57-30-33-18-10-5-11-19-33/h4-6,8-13,16-21,35-37H,7,14-15,22-31H2,1-3H3,(H2,46,54)(H,47,56)/t36-,37-/m0/s1