(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-carbamoyl-butanoyl]amino]acetyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-carboxy-propanoyl]amino]hexanoic acid
Molecular Formula:
C39H64N12O19
InChI: InChI=1/C39H64N12O19/c1-17(2)31(43)38(68)47-18(6-9-25(41)53)32(62)44-15-27(55)45-19(7-10-28(56)57)33(63)46-20(8-11-29(58)59)34(64)51-24(16-52)37(67)49-22(13-26(42)54)35(65)50-23(14-30(60)61)36(66)48-21(39(69)70)5-3-4-12-40/h17-24,31,52H,3-16,40,43H2,1-2H3,(H2,41,53)(H2,42,54)(H,44,62)(H,45,55)(H,46,63)(H,47,68)(H,48,66)(H,49,67)(H,50,65)(H,51,64)(H,56,57)(H,58,59)(H,60,61)(H,69,70)/t18-,19-,20-,21-,22-,23-,24-,31-/m0/s1/f/h44-51,56,58,60,69H,41-42H2
InChIKey: InChIKey=NIXBZDOQHRZFDR-GKDNCFTBDC
SMILES: CC(C)C(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O)N
Names:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-carbamoyl-butanoyl]amino]acetyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-carboxy-propanoyl]amino]hexanoic acid
Registries:
PubChem CID 123872
PubChem ID 10240888
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