methyl 2-[2-[[(2S)-2-[[(2S)-3-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]butanoyl]amino]propanoyl]amino]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[[(2S)-2-[[(2S)-3-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]butanoyl]amino]propanoyl]amino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(2S)-2-[[(2S)-3-methyl-1-oxo-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]butyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid methyl ester Formula: C25H36N6O9 MolecularWeight: 564.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NCC(=O)NCC(=O)OC)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)NCC(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H36N6O9/c1-15(2)22(24(37)30-16(3)23(36)28-10-18(32)27-13-21(35)39-4)31-20(34)12-26-19(33)11-29-25(38)40-14-17-8-6-5-7-9-17/h5-9,15-16,22H,10-14H2,1-4H3,(H,26,33)(H,27,32)(H,28,36)(H,29,38)(H,30,37)(H,31,34)/t16-,22-/m0/s1