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Substance Name: JMV-1609
RN: 250762-99-3
UNII: 42HSP7BZSD
InChIKey: DNDDMQTWFHNCBQ-SURKMBBYSA-N

Molecular Formula

  • C52-H79-N19-O13-S2

Molecular Weight

  • 1242.4481
 
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Names and Synonyms

Name of Substance

  • JMV-1609

Synonyms

  • JMV-1609
  • L-Arginine, D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-(3S)-3-amino-3,4-dihydro-8-methyl-4-oxo-1,5-benzothiazepine-5(2H)-acetyl-
  • UNII-42HSP7BZSD

Registry Numbers

CAS Registry Number

  • 250762-99-3

FDA UNII

  • 42HSP7BZSD

System Generated Number

  • 0250762993

Structure Descriptors

InChI

1S/C52H79N19O13S2/c1-27-12-13-36-39(19-27)86-26-35(47(81)71(36)24-41(75)64-32(49(83)84)10-4-16-62-52(58)59)68-44(78)34(25-72)67-43(77)33(21-29-7-6-18-85-29)65-40(74)22-63-45(79)38-20-28(73)23-70(38)48(82)37-11-5-17-69(37)46(80)31(9-3-15-61-51(56)57)66-42(76)30(53)8-2-14-60-50(54)55/h6-7,12-13,18-19,28,30-35,37-38,72-73H,2-5,8-11,14-17,20-26,53H2,1H3,(H,63,79)(H,64,75)(H,65,74)(H,66,76)(H,67,77)(H,68,78)(H,83,84)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t28-,30-,31+,32+,33+,34+,35-,37+,38+/m1/s1

InChIKey

DNDDMQTWFHNCBQ-SURKMBBYSA-N

Smiles

Cc1ccc2c(c1)SC[C@H](C(=O)N2CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)O