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Substance Name: Trofolastat [USAN]
RN: 1660954-70-0
UNII: 65ZW6NF97U
InChIKey: FIHVIDKDARACGD-VABKMULXSA-N

Molecular Formula

  • C37-H50-N10-O20

Molecular Weight

  • 954.852
 
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Names and Synonyms

Results Name

  • Trofolastat [USAN]

Name of Substance

  • Trofolastat

Synonyms

  • MIP-1404
  • N2-(((1S)-1,3-Dicarboxypropyl)carbamoyl)-L-gamma-glutamyl-N6,N6-bis((1-(2-(bis(carboxymethyl)amino)-2-oxoethyl)-1H-imidazol-2-yl)methyl)-L-lysine
  • Trofolastat
  • Trofolastat [USAN]
  • UNII-65ZW6NF97U

Registry Numbers

CAS Registry Number

  • 1660954-70-0

FDA UNII

  • 65ZW6NF97U

System Generated Number

  • 1660954700

Structure Descriptors

InChI

1S/C37H50N10O20/c48-26(6-4-22(35(63)64)41-37(67)42-23(36(65)66)5-7-29(51)52)40-21(34(61)62)3-1-2-10-43(13-24-38-8-11-44(24)15-27(49)46(17-30(53)54)18-31(55)56)14-25-39-9-12-45(25)16-28(50)47(19-32(57)58)20-33(59)60/h8-9,11-12,21-23H,1-7,10,13-20H2,(H,40,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,41,42,67)/t21-,22-,23-/m0/s1

InChIKey

FIHVIDKDARACGD-VABKMULXSA-N

Smiles

c1cn(c(n1)CN(CCCC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc2nccn2CC(=O)N(CC(=O)O)CC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O