2-(1-azanyl-2-oxidanyl-propyl)-4-[[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-5-methyl-3-oxidanylidene-heptanoic acid

Systemtic Name: 2-(1-azanyl-2-oxidanyl-propyl)-4-[[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-5-methyl-3-oxidanylidene-heptanoic acid Openeye Name: 2-(1-amino-2-hydroxy-propyl)-4-[[2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-5-methyl-3-oxo-heptanoic acid CAS Name: 2-(1-amino-2-hydroxypropyl)-4-[[2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-1-oxopentyl]amino]-5-methyl-3-oxoheptanoic acid IUPAC Name: 2-(1-amino-2-hydroxypropyl)-4-[[2-[(2-amino-3-sulfanylpropyl)amino]-3-methylpentanoyl]amino]-5-methyl-3-oxoheptanoic acid Traditional Name: 2-(1-amino-2-hydroxy-propyl)-4-[[2-[(2-amino-3-mercapto-propyl)amino]-3-methyl-pentanoyl]amino]-3-keto-5-methyl-enanthic acid Formula: C20H40N4O5S MolecularWeight: 448.6204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(C(C(C)O)N)C(=O)O)NC(=O)C(C(C)CC)NCC(CS)N

Isomeric SMILES

CCC(C)C(C(=O)C(C(C(C)O)N)C(=O)O)NC(=O)C(C(C)CC)NCC(CS)N

InChI

InChI=1S/C20H40N4O5S/c1-6-10(3)16(18(26)14(20(28)29)15(22)12(5)25)24-19(27)17(11(4)7-2)23-8-13(21)9-30/h10-17,23,25,30H,6-9,21-22H2,1-5H3,(H,24,27)(H,28,29)