tert-butyl 2-[[(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[(2S)-5-[bis(benzyloxycarbonylamino)methyleneamino]-2-[[(2R)-2-(tert-butoxycarbonylamino)butanoyl]-methyl-amino]pentanoyl]amino]acetate CAS Name: 2-[[(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[methyl-[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[methyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]acetate Traditional Name: 2-[[(2S)-5-[bis(benzyloxycarbonylamino)methyleneamino]-2-[[(2R)-2-(tert-butoxycarbonylamino)butanoyl]-methyl-amino]pentanoyl]amino]acetic acid tert-butyl ester Formula: C38H54N6O10 MolecularWeight: 754.86956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C)C(CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C(=O)N(C)[C@@H](CCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H54N6O10/c1-9-28(41-36(50)54-38(5,6)7)32(47)44(8)29(31(46)40-23-30(45)53-37(2,3)4)21-16-22-39-33(42-34(48)51-24-26-17-12-10-13-18-26)43-35(49)52-25-27-19-14-11-15-20-27/h10-15,17-20,28-29H,9,16,21-25H2,1-8H3,(H,40,46)(H,41,50)(H2,39,42,43,48,49)/t28-,29+/m1/s1