3-azanyl-5-[(5-azanyl-7-methyl-4-oxidanyl-2-propan-2-yl-octanoyl)-(2-azanyl-3-methyl-pentanoyl)amino]-4-oxidanylidene-5-pyridin-2-yl-pentanoic acid

Systemtic Name: 3-azanyl-5-[(5-azanyl-7-methyl-4-oxidanyl-2-propan-2-yl-octanoyl)-(2-azanyl-3-methyl-pentanoyl)amino]-4-oxidanylidene-5-pyridin-2-yl-pentanoic acid Openeye Name: 3-amino-5-[(5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoyl)-(2-amino-3-methyl-pentanoyl)amino]-4-oxo-5-(2-pyridyl)pentanoic acid CAS Name: 3-amino-5-[(5-amino-4-hydroxy-7-methyl-1-oxo-2-propan-2-yloctyl)-(2-amino-3-methyl-1-oxopentyl)amino]-4-oxo-5-(2-pyridinyl)pentanoic acid IUPAC Name: 3-amino-5-[(5-amino-4-hydroxy-7-methyl-2-propan-2-yloctanoyl)-(2-amino-3-methylpentanoyl)amino]-4-oxo-5-pyridin-2-ylpentanoic acid Traditional Name: 3-amino-5-[(5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoyl)-(2-amino-3-methyl-pentanoyl)amino]-4-keto-5-(2-pyridyl)valeric acid Formula: C28H47N5O6 MolecularWeight: 549.70268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(C1=CC=CC=N1)C(=O)C(CC(=O)O)N)C(=O)C(CC(C(CC(C)C)N)O)C(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)N(C(C1=CC=CC=N1)C(=O)C(CC(=O)O)N)C(=O)C(CC(C(CC(C)C)N)O)C(C)C)N

InChI

InChI=1S/C28H47N5O6/c1-7-17(6)24(31)28(39)33(27(38)18(16(4)5)13-22(34)19(29)12-15(2)3)25(21-10-8-9-11-32-21)26(37)20(30)14-23(35)36/h8-11,15-20,22,24-25,34H,7,12-14,29-31H2,1-6H3,(H,35,36)