2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-naphthalen-2-yl-pentanamide

Systemtic Name: 2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-naphthalen-2-yl-pentanamide Openeye Name: 2-[[2-(2-aminopropanoylamino)-3-phenyl-propanoyl]amino]-5-guanidino-N-(2-naphthyl)pentanamide CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-N-(2-naphthalenyl)pentanamide IUPAC Name: 2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide Traditional Name: 2-[[2-(alanylamino)-3-phenyl-propanoyl]amino]-5-guanidino-N-(2-naphthyl)valeramide Formula: C28H35N7O3 MolecularWeight: 517.6226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C28H35N7O3/c1-18(29)25(36)35-24(16-19-8-3-2-4-9-19)27(38)34-23(12-7-15-32-28(30)31)26(37)33-22-14-13-20-10-5-6-11-21(20)17-22/h2-6,8-11,13-14,17-18,23-24H,7,12,15-16,29H2,1H3,(H,33,37)(H,34,38)(H,35,36)(H4,30,31,32)