2,6,10-tris(azanyl)-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-methyl-5-oxidanylidene-4-pyrrolidin-2-ylcarbonyl-decanoic acid

Systemtic Name: 2,6,10-tris(azanyl)-3-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)-3-methyl-5-oxidanylidene-4-pyrrolidin-2-ylcarbonyl-decanoic acid Openeye Name: 2,6,10-triamino-3-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-phenyl-propanoyl)-3-methyl-5-oxo-4-(pyrrolidine-2-carbonyl)decanoic acid CAS Name: 2,6,10-triamino-3-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-1-oxo-3-phenylpropyl)-3-methyl-5-oxo-4-[oxo(2-pyrrolidinyl)methyl]decanoic acid IUPAC Name: 2,6,10-triamino-3-(2-amino-3-methylbutanoyl)-2-(2-amino-3-phenylpropanoyl)-3-methyl-5-oxo-4-(pyrrolidine-2-carbonyl)decanoic acid Traditional Name: 2,6,10-triamino-3-(2-amino-3-methyl-butanoyl)-5-keto-3-methyl-2-phenylalanyl-4-prolyl-capric acid Formula: C30H48N6O6 MolecularWeight: 588.73872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C)(C(C(=O)C1CCCN1)C(=O)C(CCCCN)N)C(C(=O)C(CC2=CC=CC=C2)N)(C(=O)O)N)N

Isomeric SMILES

CC(C)C(C(=O)C(C)(C(C(=O)C1CCCN1)C(=O)C(CCCCN)N)C(C(=O)C(CC2=CC=CC=C2)N)(C(=O)O)N)N

InChI

InChI=1S/C30H48N6O6/c1-17(2)23(34)27(40)29(3,30(35,28(41)42)26(39)20(33)16-18-10-5-4-6-11-18)22(25(38)21-13-9-15-36-21)24(37)19(32)12-7-8-14-31/h4-6,10-11,17,19-23,36H,7-9,12-16,31-35H2,1-3H3,(H,41,42)