(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoic acid
Molecular Formula:
C51H91N13O13S2
InChI: InChI=1/C51H91N13O13S2/c1-11-28(9)39(49(75)56-31(16-14-18-55-51(52)53)42(68)61-37(24-79)48(74)64-40(50(76)77)29(10)12-2)63-46(72)34(21-27(7)8)59-43(69)32(19-25(3)4)58-45(71)35(22-38(65)66)60-47(73)36(23-78)62-44(70)33(20-26(5)6)57-41(67)30-15-13-17-54-30/h25-37,39-40,54,78-79H,11-24H2,1-10H3,(H,56,75)(H,57,67)(H,58,71)(H,59,69)(H,60,73)(H,61,68)(H,62,70)(H,63,72)(H,64,74)(H,65,66)(H,76,77)(H4,52,53,55)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,39-,40-/m0/s1/f/h56-65,76H,52-53H2
InChIKey: InChIKey=BKEQBRCSIMFXDE-DVJWOMDCDY
SMILES: CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(CS)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C1CCCN1
Names:
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoic acid
Registries:
PubChem CID 10170779
PubChem ID 15163780
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