(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]propanoic acid
Molecular Formula:
C41H73N13O15
InChI: InChI=1/C41H73N13O15/c1-19(2)14-25(35(64)48-23(33(43)62)10-7-8-12-42)50-39(68)29(18-55)53-38(67)27(16-30(58)59)51-36(65)26(15-20(3)4)49-37(66)28(17-31(60)61)52-40(69)32(21(5)56)54-34(63)24(47-22(6)57)11-9-13-46-41(44)45/h19-21,23-29,32,55-56H,7-18,42H2,1-6H3,(H2,43,62)(H,47,57)(H,48,64)(H,49,66)(H,50,68)(H,51,65)(H,52,69)(H,53,67)(H,54,63)(H,58,59)(H,60,61)(H4,44,45,46)/t21-,23+,24+,25+,26+,27+,28+,29+,32+/m1/s1/f/h47-54,58,60H,43-45H2
InChIKey: InChIKey=ZJGHFNOZISTSOH-ZGKOQOSCDR
SMILES: CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCN=C(N)N)NC(=O)C
Names:
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]propanoic acid
Registries:
PubChem CID 9941284
PubChem ID 14914488
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