2-[[6-azanyl-2-[2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-2-[2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butyric acid Formula: C28H53N7O8 MolecularWeight: 615.76252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)N

Isomeric SMILES

CCC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)N

InChI

InChI=1S/C28H53N7O8/c1-7-17(6)23(35-26(40)20(12-15(2)3)33-24(38)18(30)14-36)27(41)31-13-21(37)32-19(10-8-9-11-29)25(39)34-22(16(4)5)28(42)43/h15-20,22-23,36H,7-14,29-30H2,1-6H3,(H,31,41)(H,32,37)(H,33,38)(H,34,39)(H,35,40)(H,42,43)