(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoic acid
Molecular Formula:
C40H74N12O11
InChI: InChI=1/C40H74N12O11/c1-8-21(4)29(49-32(55)25(42)13-9-10-16-41)38(61)52-18-12-15-28(52)35(58)47-26(14-11-17-45-40(43)44)33(56)50-31(24(7)54)37(60)48-27(19-20(2)3)34(57)51-30(23(6)53)36(59)46-22(5)39(62)63/h20-31,53-54H,8-19,41-42H2,1-7H3,(H,46,59)(H,47,58)(H,48,60)(H,49,55)(H,50,56)(H,51,57)(H,62,63)(H4,43,44,45)/t21-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31-/m0/s1/f/h46-51,62H,43-44H2
InChIKey: InChIKey=LDGVKPLPCVGEHW-AHLGCLKADZ
SMILES: CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)O)NC(=O)C(CCCCN)N
Names:
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoic acid
Registries:
PubChem CID 10284494
PubChem ID 15289407
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