ethyl 2-[2-[2-[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-(phenoxymethyl)phenyl]carbonylamino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[2-[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-(phenoxymethyl)phenyl]carbonylamino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-(phenoxymethyl)benzoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[2-[[2-[[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(phenoxymethyl)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-(phenoxymethyl)benzoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-(phenoxymethyl)benzoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid ethyl ester Formula: C44H56N8O12 MolecularWeight: 888.96184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C1=C(C=CC(=C1)COC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C1=C(C=CC(=C1)COC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C44H56N8O12/c1-7-62-38(56)25-47-36(54)23-45-35(53)22-46-37(55)24-48-41(59)32-20-30(26-63-31-16-12-9-13-17-31)18-19-33(32)51-42(60)34(21-29-14-10-8-11-15-29)52-40(58)27(2)49-39(57)28(3)50-43(61)64-44(4,5)6/h8-20,27-28,34H,7,21-26H2,1-6H3,(H,45,53)(H,46,55)(H,47,54)(H,48,59)(H,49,57)(H,50,61)(H,51,60)(H,52,58)/t27-,28-,34-/m0/s1