(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxy-butanoyl]amino]-6-methylamino-hexanoyl]amino]-4-carbamoyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
Molecular Formula:
C44H84N18O13
InChI: InChI=1/C44H84N18O13/c1-22(46)34(66)56-28(15-11-21-54-44(50)51)38(70)62-33(25(4)64)41(73)59-26(12-7-9-19-52-5)36(68)58-29(16-17-31(47)65)39(71)61-32(24(3)63)40(72)55-23(2)35(67)57-27(14-10-20-53-43(48)49)37(69)60-30(42(74)75)13-6-8-18-45/h22-30,32-33,52,63-64H,6-21,45-46H2,1-5H3,(H2,47,65)(H,55,72)(H,56,66)(H,57,67)(H,58,68)(H,59,73)(H,60,69)(H,61,71)(H,62,70)(H,74,75)(H4,48,49,53)(H4,50,51,54)/t22-,23-,24+,25+,26-,27-,28-,29-,30-,32-,33-/m0/s1/f/h55-62,74H,47-51H2
InChIKey: InChIKey=VELDIEUMPKUJHJ-KUFYQUHUDR
SMILES: CC(C(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCNC)NC(=O)C(C(C)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)N)O
Names:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxy-butanoyl]amino]-6-methylamino-hexanoyl]amino]-4-carbamoyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
Registries:
PubChem CID 6914663
PubChem ID 11539050
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