(3S,6S,9S,12S,15S,18S)-18-Acetamido-12-(2-carboxyethyl)-9-(carboxymethyl)-15-(1-hydroxyethyl)-6-isopropyl-2-methyl-5,8,11,14,17-pentaoxo-3-{[(2R)-2-({2-[(phenylsulfanyl)carbonyl]-2-propylhydrazino}car bonyl)-1-pyrrolidinyl]carbonyl}-4,7,10,13,16-pentaazaicosan-20-oic acid

More details:

• Systematic name

  (3S,6S,9S,12S,15S,18S)-18-Acetamido-12-(2-carboxyethyl)-9-(carboxymethyl)-15-(1-hydroxyethyl)-6-isopropyl-2-methyl-5,8,11,14,17-pentaoxo-3-{[(2R)-2-({2-[(phenylsulfanyl)carbonyl]-2-propylhydrazino}car bonyl)-1-pyrrolidinyl]carbonyl}-4,7,10,13,16-pentaazaicosan-20-oic acid

• SMILES

  CCCN(C(=O)Sc1ccccc1)NC(=O)[C@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

• Std. InChi

  InChI=1S/C44H65N9O16S/c1-8-18-53(44(69)70-26-13-10-9-11-14-26)51-40(65)30-15-12-19-52(30)43(68)35(23(4)5)49-41(66)34(22(2)3)48-39(64)29(21-33(60)61)47-37(62)27(16-17-31(56)57)46-42(67)36(24(6)54)50-38(63)28(20-32(58)59)45-25(7)55/h9-11,13-14,22-24,27-30,34-36,54H,8,12,15-21H2,1-7H3,(H,45,55)(H,46,67)(H,47,62)(H,48,64)(H,49,66)(H,50,63)(H,51,65)(H,56,57)(H,58,59)(H,60,61)/t24-,27+,28+,29+,30-,34+,35+,36+/m1/s1

• Std. InChIKey

  BWPMQPICHWVGBM-PFPONLIYSA-N

• Cite this record

  CSID:23107558, http://www.chemspider.com/Chemical-Structure.23107558.html (accessed 15:06, Apr 29, 2024)