Products 2414254-52-5

CAS 2414254-52-5 appears in our catalog under these names: MC–Gly–Gly–Phe–Gly–(S)–Cyclopropane–Exatecan, MC-Gly-Gly-Phe-Gly-(S)-Cyclopropane-Exatecan, 95%, 95%, MC-Gly-Gly-Phe-Gly-(S)-Cyclopropane-Exatecan, 98.99%. Offered by: GLPBio, Chemat, MedChemExpress. Available pack sizes: 1mg, 5 mg, 1 mg.

MC–Gly–Gly–Phe–Gly–(S)–Cyclopropane–Exatecan
GLPBio
  • size: 1mg
  • Variants: 1
from 3573.84
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MC-Gly-Gly-Phe-Gly-(S)-Cyclopropane-Exatecan, 95%, 95%
Chemat
  • size: 1mg
  • Variants: 1
from 7998.80
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MC-Gly-Gly-Phe-Gly-(S)-Cyclopropane-Exatecan, 98.99%
MedChemExpress
  • size: 5 mg, 1 mg
  • Variants: 2
from 3719.10
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Structural formula: {0} (CAS {1})

N-[2-[[2-[[(2S)-1-[[2-[[(1S)-1-cyclopropyl-2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide (CAS 2414254-52-5) is a chemical compound with the molecular formula C55H60FN9O13 and a molecular weight of 1074.1 g/mol. IUPAC name: N-[2-[[2-[[(2S)-1-[[2-[[(1S)-1-cyclopropyl-2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide. InChIKey: WKCCHLIWLNJSMH-DVXRIDOZSA-N.

Identity
Molecular formulaC55H60FN9O13
Molecular weight1074.1 g/mol
IUPAC nameN-[2-[[2-[[(2S)-1-[[2-[[(1S)-1-cyclopropyl-2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
InChIKeyWKCCHLIWLNJSMH-DVXRIDOZSA-N
SMILESCC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)[C@H](C7CC7)OCNC(=O)CNC(=O)[C@H](CC8=CC=CC=C8)NC(=O)CNC(=O)CNC(=O)CCCCCN9C(=O)C=CC9=O)O

Computed by PubChem (NCBI)

Synonyms: MC-Gly-Gly-Phe-Gly-(S)-Cyclopropane-Exatecan, orb1982681
Related forms of this compound
N-[2-[[2-[[(2S)-1-[[2-[[(1R)-1-cyclopropyl-2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide C55H60FN9O13
Isomers (same molecular formula)
1-[[[2-[[(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]cyclobutane-1-carboxamide C55H60FN9O13
3-[[[2-[[(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]cyclobutane-1-carboxamide C55H60FN9O13
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-1-oxopropan-2-yl]oxymethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]cyclohexane-1-carboxamide C55H60FN9O13