(phenylmethyl) (2S)-2-[[2-[[(2S)-2-[[(2S)-3-(4-diphenylphosphinothioylphenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[2-[[(2S)-2-[[(2S)-3-(4-diphenylphosphinothioylphenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]propanoate Openeye Name: benzyl (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-diphenylphosphinothioylphenyl)propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]propanoate CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-3-(4-diphenylphosphinothioylphenyl)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-2-methyl-1-oxopropyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-[[(2S)-2-[[(2S)-3-(4-diphenylphosphinothioylphenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoate Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-diphenylthiophosphorylphenyl)propanoyl]amino]propanoyl]amino]-2-methyl-propanoyl]amino]propionic acid benzyl ester Formula: C46H56N5O8PS MolecularWeight: 870.004301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C(=O)NC(C)C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=C(C=C2)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)[C@H](C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C46H56N5O8PS/c1-30(49-44(57)59-45(4,5)6)39(52)50-38(28-33-24-26-37(27-25-33)60(61,35-20-14-10-15-21-35)36-22-16-11-17-23-36)41(54)47-31(2)40(53)51-46(7,8)43(56)48-32(3)42(55)58-29-34-18-12-9-13-19-34/h9-27,30-32,38H,28-29H2,1-8H3,(H,47,54)(H,48,56)(H,49,57)(H,50,52)(H,51,53)/t30-,31-,32-,38-/m0/s1