(6S)-2-azanyl-6-[[(4R)-4-(heptanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-7-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]heptanoic acid

Systemtic Name: (6S)-2-azanyl-6-[[(4R)-4-(heptanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-7-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]heptanoic acid Openeye Name: (6S)-2-amino-6-[[(4R)-4-(heptanoylamino)-5-hydroxy-5-oxo-pentanoyl]amino]-7-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-7-oxo-heptanoic acid CAS Name: (6S)-2-amino-6-[[(4R)-5-hydroxy-1,5-dioxo-4-(1-oxoheptylamino)pentyl]amino]-7-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid IUPAC Name: (6S)-2-amino-6-[[(4R)-4-(heptanoylamino)-5-hydroxy-5-oxopentanoyl]amino]-7-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid Traditional Name: (6S)-2-amino-6-[[(4R)-4-(enanthylamino)-5-hydroxy-5-keto-pentanoyl]amino]-7-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-7-keto-enanthic acid Formula: C22H38N4O9 MolecularWeight: 502.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(=O)N[C@H](CCC(=O)N[C@@H](CCCC(C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O

InChI

InChI=1S/C22H38N4O9/c1-3-4-5-6-10-17(27)26-16(22(34)35)11-12-18(28)25-15(9-7-8-14(23)21(32)33)19(29)24-13(2)20(30)31/h13-16H,3-12,23H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)(H,32,33)(H,34,35)/t13-,14?,15+,16-/m1/s1