AIDS-122354
Molecular Formula:
C52H98N14O10S
InChI: InChI=1/C52H98N14O10S/c1-34(2)31-40(50(74)64-41(33-77)46(57)70)63-48(72)37(20-10-14-26-54)60-44(69)32-66-30-18-6-5-17-29-58-51(75)45(35(3)4)65-43(68)24-8-7-23-42(67)59-36(19-9-13-25-53)47(71)61-38(21-11-15-27-55)49(73)62-39(52(66)76)22-12-16-28-56/h34-41,45,77H,5-33,53-56H2,1-4H3,(H2,57,70)(H,58,75)(H,59,67)(H,60,69)(H,61,71)(H,62,73)(H,63,72)(H,64,74)(H,65,68)/t36-,37-,38-,39-,40+,41-,45-/m0/s1/f/h58-65H,57H2
InChIKey: InChIKey=PWBNRBZIVSIXHC-KRXIINRQDV
SMILES: CC(C)CC(C(=O)NC(CS)C(=O)N)NC(=O)C(CCCCN)NC(=O)CN1CCCCCCNC(=O)C(NC(=O)CCCCC(=O)NC(C(=O)NC(C(=O)NC(C1=O)CCCCN)CCCCN)CCCCN)C(C)C
Names:
AIDS-122354
AIDS122354
Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-D-Leu-Cys-NH2]-Lys-Lys*
(2S)-6-amino-N-[(1R)-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]-3-methyl-butyl]-2-[[2-[(3S,6S,9S,18S)-3,6,9-tris(4-aminobutyl)-2,5,8,11,16,19-hexaoxo-18-propan-2-yl-1,4,7,10,17,20-hexazacyclohexacos-1-yl]acetyl]amino]hexanamide
Registries:
PubChem CID 493002
PubChem ID 218748
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