(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-(4-iodophenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-(4-iodophenyl)propanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-iodophenyl)propanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-iodophenyl)propanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-(4-iodophenyl)propanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-iodophenyl)propionic acid Formula: C26H32IN3O7 MolecularWeight: 625.45265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)I)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)I)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H32IN3O7/c1-15(22(32)29-21(24(34)35)14-16-5-9-18(27)10-6-16)28-23(33)20(30-25(36)37-26(2,3)4)13-17-7-11-19(31)12-8-17/h5-12,15,20-21,31H,13-14H2,1-4H3,(H,28,33)(H,29,32)(H,30,36)(H,34,35)/t15-,20+,21+/m1/s1