- 8 of 8 defined stereocentres
(2S)-1-{[(4R,7S,10S,12S,16S,19R)-19-{[({[(Aminoacetyl)amino]acetyl}amino)acetyl]amino}-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-12-benzyl-16-(4-hydroxybenzyl)-6,9,13,15,18-pentaoxo-1,2-dithia-5 ,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-N-{(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxo-2-hexanyl}-2-pyrrolidinecarboxamide acetate (1:1)
O=C(O)C.O=C(N)CNC(=O)[C@@H](NC(=O)[C@H]4N(C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N[C@H](C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CN)CSSC1)Cc2ccc(O)cc2)Cc3ccccc3)CCC(=O)N)CC(=O)N)CCC4)CCCCN
InChI=1S/C52H74N16O15S2.C2H4O2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(62-44(75)25-59-43(74)24-58-42(73)22-54)50(81)64-34(20-29-11-13-30(69)14-12-29)49(80)67-48(79)33(19-28-7-2-1-3-8-28)61-32(15-16-39(55)70)46(77)65-35(21-40(56)71)47(78)66-37;1-2(3)4/h1-3,7-8,11-14,31-38,61,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,62,75)(H,63,82)(H,64,81)(H,65,77)(H,66,78)(H,67,79,80);1H3,(H,3,4)/t31-,32-,33-,34-,35-,36-,37-,38-;/m0./s1
LCAHMBSFCBKVGC-LCGYVTRFSA-N
CSID:9832964, http://www.chemspider.com/Chemical-Structure.9832964.html (accessed 15:34, Mar 28, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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