(phenylmethyl) 2-[2-[[(2S)-2-[[(2S)-3-(1-methanoylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]ethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[[(2S)-2-[[(2S)-3-(1-methanoylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]ethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1-formylindol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(2S)-2-[[(2S)-3-(1-formyl-3-indolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[[(2S)-2-[[(2S)-3-(1-formylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1-formylindol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid benzyl ester Formula: C31H37N5O8 MolecularWeight: 607.65418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CN(C3=CC=CC=C32)C=O)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC2=CN(C3=CC=CC=C32)C=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H37N5O8/c1-20(28(40)33-15-26(38)32-16-27(39)43-18-21-10-6-5-7-11-21)34-29(41)24(35-30(42)44-31(2,3)4)14-22-17-36(19-37)25-13-9-8-12-23(22)25/h5-13,17,19-20,24H,14-16,18H2,1-4H3,(H,32,38)(H,33,40)(H,34,41)(H,35,42)/t20-,24-/m0/s1