3-[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-5-azanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-5-amino-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-5-amino-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-5-amino-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]propionic acid Formula: C30H40N8O8 MolecularWeight: 640.6874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)NCCC(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@@H]3C(=O)NCCC(=O)O

InChI

InChI=1S/C30H40N8O8/c1-18(39)35-21(9-10-25(31)40)27(43)36-22(14-19-6-3-2-4-7-19)28(44)37-23(15-20-16-32-17-34-20)30(46)38-13-5-8-24(38)29(45)33-12-11-26(41)42/h2-4,6-7,16-17,21-24H,5,8-15H2,1H3,(H2,31,40)(H,32,34)(H,33,45)(H,35,39)(H,36,43)(H,37,44)(H,41,42)/t21-,22+,23-,24+/m0/s1