(phenylmethyl) N-[(2S)-1-[[(2S)-3-(4-aminocarbonylphenyl)-1-[[(2S)-1,5-bis(oxidanylidene)-5-[(triphenylmethyl)amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(2S)-3-(4-aminocarbonylphenyl)-1-[[(2S)-1,5-bis(oxidanylidene)-5-[(triphenylmethyl)amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-1-[(4-carbamoylphenyl)methyl]-2-[[(1S)-1-formyl-4-oxo-4-(tritylamino)butyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-3-(4-carbamoylphenyl)-1-[[(2S)-1,5-dioxo-5-[(triphenylmethyl)amino]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(2S)-3-(4-carbamoylphenyl)-1-[[(2S)-1,5-dioxo-5-(tritylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-(4-carbamoylbenzyl)-2-[[(1S)-1-formyl-4-keto-4-(tritylamino)butyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C48H51N5O7 MolecularWeight: 809.94784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)C(=O)N)C(=O)NC(CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)C(=O)N)C(=O)N[C@@H](CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C48H51N5O7/c1-33(2)29-41(52-47(59)60-32-35-15-7-3-8-16-35)46(58)51-42(30-34-23-25-36(26-24-34)44(49)56)45(57)50-40(31-54)27-28-43(55)53-48(37-17-9-4-10-18-37,38-19-11-5-12-20-38)39-21-13-6-14-22-39/h3-26,31,33,40-42H,27-30,32H2,1-2H3,(H2,49,56)(H,50,57)(H,51,58)(H,52,59)(H,53,55)/t40-,41-,42-/m0/s1