- 2 of 2 defined stereocentres
N-{(2S)-6-Amino-1-oxo-1-[4-(4-pyridinyl)-1-piperazinyl]-2-hexanyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl}-D-tyrosinamide
c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6
InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
ITIXDWVDFFXNEG-JHOUSYSJSA-N
CSID:5293706, http://www.chemspider.com/Chemical-Structure.5293706.html (accessed 14:53, Dec 5, 2023)
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
Click to predict properties on the Chemicalize site
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