2-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]propanoylamino]butanedioic acid

Systemtic Name: 2-[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]hexanoyl]amino]propanoylamino]butanedioic acid Openeye Name: 2-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]propanoylamino]butanedioic acid CAS Name: 2-[[2-[[6-amino-2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1-oxohexyl]amino]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-[[6-amino-2-[(2-amino-3-hydroxypropanoyl)amino]hexanoyl]amino]propanoylamino]butanedioic acid Traditional Name: 2-[2-[[6-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]hexanoyl]amino]propanoylamino]succinic acid Formula: C16H29N5O8 MolecularWeight: 419.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N5O8/c1-8(13(25)21-11(16(28)29)6-12(23)24)19-15(27)10(4-2-3-5-17)20-14(26)9(18)7-22/h8-11,22H,2-7,17-18H2,1H3,(H,19,27)(H,20,26)(H,21,25)(H,23,24)(H,28,29)