2,6-bis(azanyl)-2,3-bis(2-azanylethanoyl)-3-(2-azanyl-3-phenyl-propanoyl)-4-(2-azanylpropanoyl)-4-[[bis(azanyl)methylideneamino]methyl]-5-oxidanylidene-7-phenyl-heptanoic acid

Systemtic Name: 2,6-bis(azanyl)-2,3-bis(2-azanylethanoyl)-3-(2-azanyl-3-phenyl-propanoyl)-4-(2-azanylpropanoyl)-4-[[bis(azanyl)methylideneamino]methyl]-5-oxidanylidene-7-phenyl-heptanoic acid Openeye Name: 2,6-diamino-2,3-bis(2-aminoacetyl)-3-(2-amino-3-phenyl-propanoyl)-4-(2-aminopropanoyl)-4-(guanidinomethyl)-5-oxo-7-phenyl-heptanoic acid CAS Name: 2,6-diamino-2,3-bis(2-amino-1-oxoethyl)-3-(2-amino-1-oxo-3-phenylpropyl)-4-(2-amino-1-oxopropyl)-4-[(diaminomethylideneamino)methyl]-5-oxo-7-phenylheptanoic acid IUPAC Name: 2,6-diamino-2,3-bis(2-aminoacetyl)-3-(2-amino-3-phenylpropanoyl)-4-(2-aminopropanoyl)-4-[(diaminomethylideneamino)methyl]-5-oxo-7-phenylheptanoic acid Traditional Name: 4-alanyl-2,6-diamino-2,3-diglycyl-4-(guanidinomethyl)-5-keto-7-phenyl-3-phenylalanyl-enanthic acid Formula: C31H43N9O7 MolecularWeight: 653.72922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(CN=C(N)N)(C(=O)C(CC1=CC=CC=C1)N)C(C(=O)CN)(C(=O)C(CC2=CC=CC=C2)N)C(C(=O)CN)(C(=O)O)N)N

Isomeric SMILES

CC(C(=O)C(CN=C(N)N)(C(=O)C(CC1=CC=CC=C1)N)C(C(=O)CN)(C(=O)C(CC2=CC=CC=C2)N)C(C(=O)CN)(C(=O)O)N)N

InChI

InChI=1S/C31H43N9O7/c1-17(34)24(43)29(16-40-28(37)38,25(44)20(35)12-18-8-4-2-5-9-18)30(22(41)14-32,31(39,27(46)47)23(42)15-33)26(45)21(36)13-19-10-6-3-7-11-19/h2-11,17,20-21H,12-16,32-36,39H2,1H3,(H,46,47)(H4,37,38,40)