(phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-1-[[(E,3S)-1-(1,2-oxazol-5-yl)-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-en-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-1-[[(E,3S)-1-(1,2-oxazol-5-yl)-6-oxidanylidene-6-[(triphenylmethyl)amino]hex-1-en-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-1-[(E)-2-isoxazol-5-ylvinyl]-4-oxo-4-(tritylamino)butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(E,3S)-1-(5-isoxazolyl)-6-oxo-6-[(triphenylmethyl)amino]hex-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-4-methyl-1-[[(2S)-1-[[(E,3S)-1-(1,2-oxazol-5-yl)-6-oxo-6-(tritylamino)hex-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-benzyl-2-[[(E,1S)-3-isoxazol-5-yl-1-[3-keto-3-(tritylamino)propyl]allyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C51H53N5O6 MolecularWeight: 831.99642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=CC5=CC=NO5)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/C5=CC=NO5)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C51H53N5O6/c1-37(2)34-45(55-50(60)61-36-39-20-10-4-11-21-39)49(59)54-46(35-38-18-8-3-9-19-38)48(58)53-43(28-30-44-32-33-52-62-44)29-31-47(57)56-51(40-22-12-5-13-23-40,41-24-14-6-15-25-41)42-26-16-7-17-27-42/h3-28,30,32-33,37,43,45-46H,29,31,34-36H2,1-2H3,(H,53,58)(H,54,59)(H,55,60)(H,56,57)/b30-28+/t43-,45+,46+/m1/s1