2-[4-azanyl-5-[6-azanyl-4-(2-azanyl-3-phenyl-propanoyl)-3-nitro-2-pyrrolidin-2-ylcarbonyl-phenyl]-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[4-azanyl-5-[6-azanyl-4-(2-azanyl-3-phenyl-propanoyl)-3-nitro-2-pyrrolidin-2-ylcarbonyl-phenyl]-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[4-amino-5-[6-amino-4-(2-amino-3-phenyl-propanoyl)-3-nitro-2-(pyrrolidine-2-carbonyl)phenyl]-5-oxo-pentyl]guanidine CAS Name: 2-[4-amino-5-[6-amino-4-(2-amino-1-oxo-3-phenylpropyl)-3-nitro-2-[oxo(2-pyrrolidinyl)methyl]phenyl]-5-oxopentyl]guanidine IUPAC Name: 2-[4-amino-5-[6-amino-4-(2-amino-3-phenylpropanoyl)-3-nitro-2-(pyrrolidine-2-carbonyl)phenyl]-5-oxopentyl]guanidine Traditional Name: 2-[4-amino-5-(6-amino-3-nitro-4-phenylalanyl-2-prolyl-phenyl)-5-keto-pentyl]guanidine Formula: C26H34N8O5 MolecularWeight: 538.59876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C2=C(C(=CC(=C2C(=O)C(CCCN=C(N)N)N)N)C(=O)C(CC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C(=O)C2=C(C(=CC(=C2C(=O)C(CCCN=C(N)N)N)N)C(=O)C(CC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C26H34N8O5/c27-16(8-4-11-33-26(30)31)24(36)20-17(28)13-15(23(35)18(29)12-14-6-2-1-3-7-14)22(34(38)39)21(20)25(37)19-9-5-10-32-19/h1-3,6-7,13,16,18-19,32H,4-5,8-12,27-29H2,(H4,30,31,33)