(14S,32S,33R,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(3-((2,5-dioxo-1-((4-((13-oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl)carbamoyl)cyclohexyl)methyl)pyrrolidin-3-yl)thio)propanoyl)-N-methyl-D-alaninate

Catalog No. :: ACECRK851
CAS No. :: 2183472-94-6
Molecular Formula :: C65H95ClN8O18S2
Molecular Weight :: 1376.10

IUPAC Name:(14S,32S,33R,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(3-((2,5-dioxo-1-((4-((13-oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl)carbamoyl)cyclohexyl)methyl)pyrrolidin-3-yl)thio)propanoyl)-N-methyl-D-alaninate

(14S,32S,33R,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(3-((2,5-dioxo-1-((4-((13-oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl)carbamoyl)cyclohexyl)methyl)pyrrolidin-3-yl)thio)propanoyl)-N-methyl-D-alaninate structure diagram

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Product Name	(14S,32S,33R,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(3-((2,5-dioxo-1-((4-((13-oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl)carbamoyl)cyclohexyl)methyl)pyrrolidin-3-yl)thio)propanoyl)-N-methyl-D-alaninate
IUPAC Name	(14S,32S,33R,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(3-((2,5-dioxo-1-((4-((13-oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl)carbamoyl)cyclohexyl)methyl)pyrrolidin-3-yl)thio)propanoyl)-N-methyl-D-alaninate
Molecular Formula	C65H95ClN8O18S2
Molecular Weight	1376.10
SMILES	C[C@]12[C@@]([H])(O2)[C@H](C)C3C[C@](NC(O3)=O)(O)[C@H](OC)/C=C/C=C(C)/CC4=CC(N(C)C(C[C@@H]1OC([C@H](N(C(CCSC5C(N(CC6CCC(C(NCCOCCOCCOCCNC(CCCC[C@H]7[C@@]8([C@]([H])(CS7)NC(N8)=O)[H])=O)=O)CC6)C(C5)=O)=O)=O)C)C)=O)=O)=C(Cl)C(OC)=C4
InChI Key	SOAFIZANZKFHCX-KOKLDKLVSA-N
Synonym	DM1-MCC-PEG3-biotin;Biotin-PEG3-MCC-DM1;Maytansine, N2'-deacetyl-N2'-[3-[[1-[[4-[19-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1,15-dioxo-5,8,11-trioxa-2,14-diazanonadec-1-yl]cyclohexyl]methyl]-2,5-dioxo-3-pyrrolidinyl]thio]-1-oxopropyl]-
CAS No.	2183472-94-6

Synthetic Route by SureRoute

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ACECRK8512183472-94-6

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ACECRK8512183472-94-6

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Synthetic Route by SureRoute

1. ACECRK851 Molecular Building Block Synthetic Route

2. ACECRK851 Molecular Building Block Synthetic Route

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Synthetic Route by SureRoute

N6-((1S,4S)-4-(((S)-3-((3-(((S)-1-(((14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl)oxy)-1-oxopropan-2-yl)(me

(14S,16S,32S,33R,2R,4S,10Z,12Z,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(3-((1-((4-carbamoylcyclohexyl)methyl)-2,5-dioxopyrrolidin-3-yl)thio)propanoyl)-N-methyl-L-alaninate

MCC-DM1

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