(2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazol-5-yl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]-6-azanyl-hexanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazol-5-yl)carbonylamino]-1H-pyrazol-5-yl]carbonylamino]-6-azanyl-hexanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carbonyl]amino]-6-amino-hexanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[[3-[[(3-acetamido-1H-pyrazol-5-yl)-oxomethyl]amino]-1H-pyrazol-5-yl]-oxomethyl]amino]-6-amino-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carbonyl]amino]-6-aminohexanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carbonyl]amino]-6-amino-hexanoyl]amino]-3-phenyl-propionic acid Formula: C25H31N9O6 MolecularWeight: 553.57034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NNC(=C1)C(=O)NC2=NNC(=C2)C(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=NNC(=C1)C(=O)NC2=NNC(=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H31N9O6/c1-14(35)27-20-12-18(32-33-20)24(38)30-21-13-17(31-34-21)23(37)28-16(9-5-6-10-26)22(36)29-19(25(39)40)11-15-7-3-2-4-8-15/h2-4,7-8,12-13,16,19H,5-6,9-11,26H2,1H3,(H,28,37)(H,29,36)(H,39,40)(H2,27,32,33,35)(H2,30,31,34,38)/t16-,19-/m0/s1