2-azanyl-4-[2-[[2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-oxidanylidene-2-propan-2-yl-hexanedioic acid

Systemtic Name: 2-azanyl-4-[2-[[2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-oxidanylidene-2-propan-2-yl-hexanedioic acid Openeye Name: 2-amino-4-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-2-isopropyl-3-oxo-hexanedioic acid CAS Name: 2-amino-4-[[2-[[2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-oxo-2-propan-2-ylhexanedioic acid IUPAC Name: 2-amino-4-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-oxo-2-propan-2-ylhexanedioic acid Traditional Name: 2-amino-4-[[2-[[2-(glycylamino)-3-hydroxy-propanoyl]amino]acetyl]amino]-2-isopropyl-3-keto-adipic acid Formula: C16H27N5O9 MolecularWeight: 433.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)CN)(C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)CN)(C(=O)O)N

InChI

InChI=1S/C16H27N5O9/c1-7(2)16(18,15(29)30)13(27)8(3-12(25)26)20-11(24)5-19-14(28)9(6-22)21-10(23)4-17/h7-9,22H,3-6,17-18H2,1-2H3,(H,19,28)(H,20,24)(H,21,23)(H,25,26)(H,29,30)