(2S)-2-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(pyridin-3-ylcarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(pyridin-3-ylcarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(pyridine-3-carbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-[[(2S)-1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]propyl]amino]propyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(pyridine-3-carbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-nicotinamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propionic acid Formula: C32H36N6O8 MolecularWeight: 632.66364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C32H36N6O8/c1-19(28(41)34-18-27(40)37-26(32(45)46)16-21-7-4-3-5-8-21)36-31(44)25(15-22-10-12-24(39)13-11-22)38-29(42)20(2)35-30(43)23-9-6-14-33-17-23/h3-14,17,19-20,25-26,39H,15-16,18H2,1-2H3,(H,34,41)(H,35,43)(H,36,44)(H,37,40)(H,38,42)(H,45,46)/t19-,20+,25+,26+/m1/s1