(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid
Molecular Formula:
C46H85N13O13
InChI: InChI=1/C46H85N13O13/c1-25(2)35(50)43(68)53-28(14-7-10-18-47)38(63)55-30(16-9-12-20-49)45(70)59-21-13-17-33(59)42(67)51-22-34(62)52-31(23-60)40(65)56-32(24-61)41(66)57-36(26(3)4)44(69)54-29(15-8-11-19-48)39(64)58-37(27(5)6)46(71)72/h25-33,35-37,60-61H,7-24,47-50H2,1-6H3,(H,51,67)(H,52,62)(H,53,68)(H,54,69)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,71,72)/t28-,29-,30-,31-,32-,33-,35-,36-,37-/m0/s1/f/h51-58,71H
InChIKey: InChIKey=DFPJZTGPSSEBSP-YVJMLJLDDX
SMILES: CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)N
Names:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid
Registries:
PubChem CID 132902
PubChem ID 10243226
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