(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-3-sulfanyl-propanoic acid
Molecular Formula:
C48H82N16O14S5
InChI: InChI=1/C48H82N16O14S5/c1-23(2)36(46(76)64-15-8-11-33(64)44(74)61-30(21-81)42(72)55-24(3)37(67)59-28(12-16-83-5)39(69)53-17-34(65)57-31(22-82)47(77)78)62-35(66)18-54-40(70)29(20-80)60-41(71)27(9-6-13-52-48(50)51)58-38(68)25(4)56-43(73)32-10-7-14-63(32)45(75)26(49)19-79/h23-33,36,79-82H,6-22,49H2,1-5H3,(H,53,69)(H,54,70)(H,55,72)(H,56,73)(H,57,65)(H,58,68)(H,59,67)(H,60,71)(H,61,74)(H,62,66)(H,77,78)(H4,50,51,52)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,36-/m0/s1/f/h53-62,77H,50-51H2
InChIKey: InChIKey=YWXOOSCFFFWHGU-GMERTITDDP
SMILES: CC(C)C(C(=O)N1CCCC1C(=O)NC(CS)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CS)C(=O)O)NC(=O)CNC(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(CS)N
Names:
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-3-sulfanyl-propanoic acid
Registries:
PubChem CID 9941812
PubChem ID 14915034
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