Glycylglycyl-N-[(4S,7S,10S,13S,16S,19S)-4-{[(2S)-2-({(2S)-6-amino-1-[carbamoyl(methyl)amino]-1-oxo-2-hexanyl}carbamoyl)-1-pyrrolidinyl]carbonyl}-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benz yl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]glycinamide acetate (1:1)

More details:

• Systematic name

  Glycylglycyl-N-[(4S,7S,10S,13S,16S,19S)-4-{[(2S)-2-({(2S)-6-amino-1-[carbamoyl(methyl)amino]-1-oxo-2-hexanyl}carbamoyl)-1-pyrrolidinyl]carbonyl}-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benz yl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]glycinamide acetate (1:1)

• SMILES

  CC(=O)O.CN(C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H]2CSSC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)Cc3ccccc3)Cc4ccc(cc4)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N

• Std. InChi

  InChI=1S/C52H74N16O15S2.C2H4O2/c1-67(52(57)83)50(81)32(10-5-6-18-53)62-49(80)38-11-7-19-68(38)51(82)37-27-85-84-26-36(60-43(74)25-59-42(73)24-58-41(72)23-54)48(79)64-34(21-29-12-14-30(69)15-13-29)46(77)63-33(20-28-8-3-2-4-9-28)45(76)61-31(16-17-39(55)70)44(75)65-35(22-40(56)71)47(78)66-37;1-2(3)4/h2-4,8-9,12-15,31-38,69H,5-7,10-11,16-27,53-54H2,1H3,(H2,55,70)(H2,56,71)(H2,57,83)(H,58,72)(H,59,73)(H,60,74)(H,61,76)(H,62,80)(H,63,77)(H,64,79)(H,65,75)(H,66,78);1H3,(H,3,4)/t31-,32-,33-,34-,35-,36+,37+,38-;/m0./s1

• Std. InChIKey

  DHMMZSDUOSXMLB-LWAGCRNTSA-N

• Cite this record

  CSID:67864608, http://www.chemspider.com/Chemical-Structure.67864608.html (accessed 08:42, Apr 16, 2024)