(2S)-2-[[(2S)-2-azanyl-5-(octylamino)-5-oxidanylidene-pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-5-(octylamino)-5-oxidanylidene-pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-5-(octylamino)-5-oxo-pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid CAS Name: (2S)-2-[[(2S)-2-amino-5-(octylamino)-1,5-dioxopentyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-5-(octylamino)-5-oxopentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid Traditional Name: (2S)-2-[[(2S)-2-amino-5-keto-5-(octylamino)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid Formula: C23H37N5O9 MolecularWeight: 527.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CCC(C(=O)NC(C1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)C(=O)O)N

Isomeric SMILES

CCCCCCCCNC(=O)CC[C@@H](C(=O)N[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)C(=O)O)N

InChI

InChI=1S/C23H37N5O9/c1-2-3-4-5-6-7-11-25-14(29)9-8-13(24)20(33)27-16(22(34)35)19-17(31)18(32)21(37-19)28-12-10-15(30)26-23(28)36/h10,12-13,16-19,21,31-32H,2-9,11,24H2,1H3,(H,25,29)(H,27,33)(H,34,35)(H,26,30,36)/t13-,16-,17-,18+,19+,21+/m0/s1