2-[[(2S)-2-[[(2R)-2-azanylbutanoyl]-methyl-amino]-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[[(2R)-2-azanylbutanoyl]-methyl-amino]-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[(2R)-2-aminobutanoyl]-methyl-amino]-5-[bis(benzyloxycarbonylamino)methyleneamino]pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(2R)-2-amino-1-oxobutyl]-methylamino]-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[(2R)-2-aminobutanoyl]-methylamino]-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[(2R)-2-aminobutanoyl]-methyl-amino]-5-[bis(benzyloxycarbonylamino)methyleneamino]pentanoyl]amino]acetic acid Formula: C29H38N6O8 MolecularWeight: 598.64742

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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)O)N

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)O)N

InChI

InChI=1S/C29H38N6O8/c1-3-22(30)26(39)35(2)23(25(38)32-17-24(36)37)15-10-16-31-27(33-28(40)42-18-20-11-6-4-7-12-20)34-29(41)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-23H,3,10,15-19,30H2,1-2H3,(H,32,38)(H,36,37)(H2,31,33,34,40,41)/t22-,23+/m1/s1