2-[[4-azanyl-2-[2-[2-[[1-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]propanoylamino]-4-oxidanylidene-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[4-azanyl-2-[2-[2-[[1-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]propanoylamino]-4-oxidanylidene-butanoyl]amino]ethanoic acid Openeye Name: 2-[[4-amino-2-[2-[2-[[1-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoylamino]propanoylamino]-4-oxo-butanoyl]amino]acetic acid CAS Name: 2-[[4-amino-2-[[2-[[2-[[[1-[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]acetic acid IUPAC Name: 2-[[4-amino-2-[2-[2-[[1-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoylamino]propanoylamino]-4-oxobutanoyl]amino]acetic acid Traditional Name: 2-[[4-amino-2-[2-[2-[[1-[2-[[2-amino-4-(methylthio)butanoyl]amino]acetyl]prolyl]amino]propanoylamino]propanoylamino]-4-keto-butanoyl]amino]acetic acid Formula: C24H40N8O9S MolecularWeight: 616.6876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NCC(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CCSC)N

Isomeric SMILES

CC(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NCC(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CCSC)N

InChI

InChI=1S/C24H40N8O9S/c1-12(20(37)29-13(2)21(38)31-15(9-17(26)33)23(40)28-11-19(35)36)30-24(41)16-5-4-7-32(16)18(34)10-27-22(39)14(25)6-8-42-3/h12-16H,4-11,25H2,1-3H3,(H2,26,33)(H,27,39)(H,28,40)(H,29,37)(H,30,41)(H,31,38)(H,35,36)