2-[[(2S,3S)-2-[2-[[(2S)-2-azanyl-3-[(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S,3S)-2-[2-[[(2S)-2-azanyl-3-[(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-1-oxo-3-[[(2R,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]propyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]acetic acid Formula: C18H32N4O10 MolecularWeight: 464.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)O)NC(=O)CNC(=O)C(COC1C(C(C(CO1)O)O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)N

InChI

InChI=1S/C18H32N4O10/c1-3-8(2)13(17(30)21-5-12(25)26)22-11(24)4-20-16(29)9(19)6-31-18-15(28)14(27)10(23)7-32-18/h8-10,13-15,18,23,27-28H,3-7,19H2,1-2H3,(H,20,29)(H,21,30)(H,22,24)(H,25,26)/t8-,9-,10+,13-,14-,15+,18+/m0/s1