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Substance Name: Lysine-emtansine
RN: 1281816-04-3
UNII: 6E9CC1P9UA
InChIKey: UBRZDBDIKWWPEN-OZFINKIESA-N

Molecular Formula

  • C53-H75-Cl-N6-O15-S

Molecular Weight

  • 1103.7215
 
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Names and Synonyms

Name of Substance

  • Lysine-emtansine

Synonym

  • UNII-6E9CC1P9UA

Registry Numbers

CAS Registry Number

  • 1281816-04-3

FDA UNII

  • 6E9CC1P9UA

System Generated Number

  • 1281816043

Structure Descriptors

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

InChIKey

UBRZDBDIKWWPEN-OZFINKIESA-N

Smiles

C[C@H]1[C@@H]2O[C@]2([C@H](CC(=O)N(c3c(c(cc(c3)C/C(=C/C=C/[C@H]([C@@]4(NC(=O)O[C@H]1C4)O)OC)/C)OC)Cl)C)OC(=O)[C@@H](N(C(=O)CCSC5C(=O)N(C(=O)C5)C[C@H]6CC[C@@H](CC6)C(=O)NCCCC[C@H](N)C(=O)O)C)C)C