(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-carboxy-butanoyl]amino]-5-[(2S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid
Molecular Formula:
C42H70N12O15
InChI: InChI=1/C42H70N12O15/c1-20(2)32(51-36(63)27-11-8-18-54(27)40(67)31(43)22(5)55)38(65)49-23(9-6-16-46-42(44)45)34(61)47-19-28(56)48-24(12-14-29(57)58)35(62)50-25(13-15-30(59)60)39(66)53-17-7-10-26(53)37(64)52-33(21(3)4)41(68)69/h20-27,31-33,55H,6-19,43H2,1-5H3,(H,47,61)(H,48,56)(H,49,65)(H,50,62)(H,51,63)(H,52,64)(H,57,58)(H,59,60)(H,68,69)(H4,44,45,46)/t22-,23+,24+,25+,26+,27+,31+,32+,33+/m1/s1/f/h47-52,57,59,68H,44-45H2
InChIKey: InChIKey=XUSSUGMBDRKKKV-WKTRUVGBDB
SMILES: CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)O)NC(=O)C2CCCN2C(=O)C(C(C)O)N
Names:
(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-carboxy-butanoyl]amino]-5-[(2S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid
Registries:
PubChem CID 10056790
PubChem ID 15040298
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