3-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[2-[2-[4-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanoylamino]ethanoylamino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[2-[2-[4-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanoylamino]ethanoylamino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[2-[4-(4-methoxyphenyl)thiazolidin-3-yl]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[2-[4-(4-methoxyphenyl)-3-thiazolidinyl]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[2-[4-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]acetyl]amino]acetyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-[[(2S)-5-amino-5-keto-2-[[(2S)-2-[[2-[[2-[4-(4-methoxyphenyl)thiazolidin-3-yl]acetyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid Formula: C34H45N7O9S MolecularWeight: 727.8276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NCCC(=O)O)NC(=O)CNC(=O)CN2CSCC2C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC(=O)O)NC(=O)CNC(=O)CN2CSCC2C3=CC=C(C=C3)OC

InChI

InChI=1S/C34H45N7O9S/c1-21(38-29(43)17-37-30(44)18-41-20-51-19-27(41)23-8-10-24(50-2)11-9-23)32(47)39-25(12-13-28(35)42)34(49)40-26(16-22-6-4-3-5-7-22)33(48)36-15-14-31(45)46/h3-11,21,25-27H,12-20H2,1-2H3,(H2,35,42)(H,36,48)(H,37,44)(H,38,43)(H,39,47)(H,40,49)(H,45,46)/t21-,25-,26-,27?/m0/s1