(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[2-[[2-(acetyl-methyl-amino)acetyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-methyl-3-sulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethyl-pyrrolidine-2-carboxamide
Molecular Formula:
C45H81N13O11S
InChI: InChI=1/C45H81N13O11S/c1-12-17-28(37(63)54-34(25(6)13-2)40(66)52-29(18-15-20-49-44(46)47)43(69)58-21-16-19-30(58)38(64)48-14-3)51-41(67)35(26(7)59)55-42(68)36(45(9,10)70)56-39(65)33(24(4)5)53-31(61)22-50-32(62)23-57(11)27(8)60/h24-26,28-30,33-36,59,70H,12-23H2,1-11H3,(H,48,64)(H,50,62)(H,51,67)(H,52,66)(H,53,61)(H,54,63)(H,55,68)(H,56,65)(H4,46,47,49)/t25-,26+,28-,29-,30-,33-,34-,35-,36-/m0/s1/f/h48,50-56H,46-47H2
InChIKey: InChIKey=GVSFWFKWUHDYSF-UBUAUIDRDN
SMILES: CCCC(C(=O)NC(C(C)CC)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)NC(=O)C(C(C)O)NC(=O)C(C(C)(C)S)NC(=O)C(C(C)C)NC(=O)CNC(=O)CN(C)C(=O)C
Names:
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[2-[[2-(acetyl-methyl-amino)acetyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-3-methyl-3-sulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethyl-pyrrolidine-2-carboxamide
Registries:
PubChem CID 11320649
PubChem ID 16409928
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