LYSINE-EMTANSINE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C53H75ClN6O15S
Molecular Weight	1103.712
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)C3=C(Cl)C(OC)=CC(C\C(C)=C\C=C\[C@@H](OC)[C@@]4(O)C[C@]([H])(OC(=O)N4)[C@H]2C)=C3)OC(=O)[C@H](C)N(C)C(=O)CCSC5CC(=O)N(C[C@H]6CC[C@@H](CC6)C(=O)NCCCC[C@H](N)C(O)=O)C5=O

InChI

InChIKey=UBRZDBDIKWWPEN-OZFINKIESA-N

InChI=1S/C53H75ClN6O15S/c1-29-12-11-14-40(72-8)53(70)27-38(73-51(69)57-53)30(2)46-52(4,75-46)41(26-43(62)59(6)36-23-33(22-29)24-37(71-7)45(36)54)74-50(68)31(3)58(5)42(61)19-21-76-39-25-44(63)60(48(39)65)28-32-15-17-34(18-16-32)47(64)56-20-10-9-13-35(55)49(66)67/h11-12,14,23-24,30-32,34-35,38-41,46,70H,9-10,13,15-22,25-28,55H2,1-8H3,(H,56,64)(H,57,69)(H,66,67)/b14-11+,29-12+/t30-,31+,32-,34-,35+,38+,39?,40-,41+,46+,52+,53+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C53H75ClN6O15S
Molecular Weight	1103.712
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	11 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:40:37 UTC 2023` Edited by `admin` on `Sat Dec 16 04:40:37 UTC 2023`
Record UNII	6E9CC1P9UA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LYSINE-EMTANSINE

Common Name

English

MAYTANSINE, N2'-(3-((1-((4-((((5S)-5-AMINO-5-CARBOXYPENTYL)AMINO)CARBONYL)CYCLOHEXYL)METHYL)-2,5-DIOXO-3-PYRROLIDINYL)THIO)-1-OXOPROPYL)-N2'-DEACETYL-

Common Name

English

LYSINE-MCC-DM1

Common Name

English

LYSINE-N.EPSILON.-MCC-DM1

Common Name

English

Code System Code Type Description

CAS

1281816-04-3

Created by admin on Sat Dec 16 04:40:37 UTC 2023 , Edited by admin on Sat Dec 16 04:40:37 UTC 2023

PRIMARY

PUBCHEM

71587969

Created by admin on Sat Dec 16 04:40:37 UTC 2023 , Edited by admin on Sat Dec 16 04:40:37 UTC 2023

PRIMARY

FDA UNII

6E9CC1P9UA

Created by admin on Sat Dec 16 04:40:37 UTC 2023 , Edited by admin on Sat Dec 16 04:40:37 UTC 2023

PRIMARY

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Comments:

INTERNALIZATION FOLLOWED BY PROTEOLYTIC DIGESTION FORMS ACTIVE METABOLITE WHICH IS UNABLE TO MIGRATE OUT OF CELL LEADING TO AN ENHANCED SAFETY PROFILE

Amount: