(phenylmethyl) (2R)-2-[[(2S)-4-methyl-2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-4-methyl-2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoate Openeye Name: benzyl (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-4-methyl-2-[[(2R)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-4-methyl-2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]propionic acid benzyl ester Formula: C38H55N5O9 MolecularWeight: 725.8714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C38H55N5O9/c1-25(2)22-31(34(46)41-27(4)35(47)50-23-28-16-10-8-11-17-28)42-32(44)26(3)40-33(45)30(43-37(49)52-38(5,6)7)20-14-15-21-39-36(48)51-24-29-18-12-9-13-19-29/h8-13,16-19,25-27,30-31H,14-15,20-24H2,1-7H3,(H,39,48)(H,40,45)(H,41,46)(H,42,44)(H,43,49)/t26-,27-,30+,31+/m1/s1