Pacidamycin 7

cas: 121808-59-1 — see every product listed under this CAS number, including other names

Pacidamycin 7 (CAS 121808-59-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas121808-59-1
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Structural formula: {0} (CAS {1})

(2S)-2-[[(2S)-1-[[(2S,3S)-3-[[2-[(2-aminoacetyl)amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-phenylpropanoic acid (CAS 121808-59-1) is a chemical compound with the molecular formula C38H47N9O12 and a molecular weight of 821.8 g/mol. IUPAC name: (2S)-2-[[(2S)-1-[[(2S,3S)-3-[[2-[(2-aminoacetyl)amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-phenylpropanoic acid. InChIKey: CGWBWZILRDSQJL-NGTJTCJWSA-N.

Identity
Molecular formulaC38H47N9O12
Molecular weight821.8 g/mol
IUPAC name(2S)-2-[[(2S)-1-[[(2S,3S)-3-[[2-[(2-aminoacetyl)amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-phenylpropanoic acid
InChIKeyCGWBWZILRDSQJL-NGTJTCJWSA-N
SMILESC[C@@H]([C@@H](C(=O)N/C=C\1/C[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)NC(=O)[C@H](C)NC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)N(C)C(=O)C(CC4=CC(=CC=C4)O)NC(=O)CN

Computed by PubChem (NCBI)

Synonyms: orb3024112

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