4-azanyl-N-[2-[[6-azanyl-2-(2-azanylpropanoylamino)hexanoyl]-cyclohexyl-amino]-3-phenyl-propanoyl]-1,2,3-triazole-1-carboxamide

Systemtic Name: 4-azanyl-N-[2-[[6-azanyl-2-(2-azanylpropanoylamino)hexanoyl]-cyclohexyl-amino]-3-phenyl-propanoyl]-1,2,3-triazole-1-carboxamide Openeye Name: 4-amino-N-[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]-cyclohexyl-amino]-3-phenyl-propanoyl]triazole-1-carboxamide CAS Name: 4-amino-N-[2-[[6-amino-2-[(2-amino-1-oxopropyl)amino]-1-oxohexyl]-cyclohexylamino]-1-oxo-3-phenylpropyl]-1-triazolecarboxamide IUPAC Name: 4-amino-N-[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]-cyclohexylamino]-3-phenylpropanoyl]triazole-1-carboxamide Traditional Name: N-[2-[[2-(alanylamino)-6-amino-hexanoyl]-cyclohexyl-amino]-3-phenyl-propanoyl]-4-amino-triazole-1-carboxamide Formula: C27H41N9O4 MolecularWeight: 555.67234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCN)C(=O)N(C1CCCCC1)C(CC2=CC=CC=C2)C(=O)NC(=O)N3C=C(N=N3)N)N

Isomeric SMILES

CC(C(=O)NC(CCCCN)C(=O)N(C1CCCCC1)C(CC2=CC=CC=C2)C(=O)NC(=O)N3C=C(N=N3)N)N

InChI

InChI=1S/C27H41N9O4/c1-18(29)24(37)31-21(14-8-9-15-28)26(39)36(20-12-6-3-7-13-20)22(16-19-10-4-2-5-11-19)25(38)32-27(40)35-17-23(30)33-34-35/h2,4-5,10-11,17-18,20-22H,3,6-9,12-16,28-30H2,1H3,(H,31,37)(H,32,38,40)