(2R,5S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]-phosphono-amino]-2-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]-4-oxidanylidene-3-phosphono-hexanoic acid

Systemtic Name: (2R,5S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]-phosphono-amino]-2-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]-4-oxidanylidene-3-phosphono-hexanoic acid Openeye Name: (2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxy-butanoyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]-phosphono-amino]-4-oxo-3-phosphono-hexanoic acid CAS Name: (2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-phosphonoamino]-4-oxo-3-phosphonohexanoic acid IUPAC Name: (2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-4-oxo-3-phosphonohexanoic acid Traditional Name: (2R,5S)-5-amino-2-[(2S,3R)-2-amino-3-hydroxy-butanoyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]-phosphono-amino]-4-keto-3-phosphono-hexanoic acid Formula: C22H35N5O15P2 MolecularWeight: 671.485322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C(C(C(=O)C(C)N)P(=O)(O)O)(C(=O)O)N(C(=O)C(CO)NC(=O)C(CC1=CC=C(C=C1)O)N)P(=O)(O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)[C@](C(C(=O)[C@H](C)N)P(=O)(O)O)(C(=O)O)N(C(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)N)P(=O)(O)O)N)O

InChI

InChI=1S/C22H35N5O15P2/c1-9(23)16(31)18(43(37,38)39)22(21(35)36,17(32)15(25)10(2)29)27(44(40,41)42)20(34)14(8-28)26-19(33)13(24)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,18,28-30H,7-8,23-25H2,1-2H3,(H,26,33)(H,35,36)(H2,37,38,39)(H2,40,41,42)/t9-,10+,13-,14-,15-,18?,22-/m0/s1