2-[(2-acetamido-3-phenyl-propanoyl)amino]-N-(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)-5-[bis(azanyl)methylideneamino]pentanamide

Systemtic Name: 2-[(2-acetamido-3-phenyl-propanoyl)amino]-N-(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)-5-[bis(azanyl)methylideneamino]pentanamide Openeye Name: 2-[(2-acetamido-3-phenyl-propanoyl)amino]-N-[2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]-5-guanidino-pentanamide CAS Name: 2-[(2-acetamido-1-oxo-3-phenylpropyl)amino]-N-[1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide IUPAC Name: 2-[(2-acetamido-3-phenylpropanoyl)amino]-N-(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)-5-(diaminomethylideneamino)pentanamide Traditional Name: 2-[(2-acetamido-3-phenyl-propanoyl)amino]-N-[2-amino-2-keto-1-(2-naphthylmethyl)ethyl]-5-guanidino-valeramide Formula: C30H37N7O4 MolecularWeight: 559.65928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N

InChI

InChI=1S/C30H37N7O4/c1-19(38)35-26(17-20-8-3-2-4-9-20)29(41)36-24(12-7-15-34-30(32)33)28(40)37-25(27(31)39)18-21-13-14-22-10-5-6-11-23(22)16-21/h2-6,8-11,13-14,16,24-26H,7,12,15,17-18H2,1H3,(H2,31,39)(H,35,38)(H,36,41)(H,37,40)(H4,32,33,34)