(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]propanoic acid
Molecular Formula:
C41H74N12O14S
InChI: InChI=1/C41H74N12O14S/c1-19(2)14-25(49-35(61)24(10-9-12-45-41(43)44)48-33(59)23(42)11-13-68-8)34(60)46-17-29(56)47-28(18-54)38(64)50-26(15-20(3)4)36(62)52-31(21(5)6)39(65)51-27(16-30(57)58)37(63)53-32(22(7)55)40(66)67/h19-28,31-32,54-55H,9-18,42H2,1-8H3,(H,46,60)(H,47,56)(H,48,59)(H,49,61)(H,50,64)(H,51,65)(H,52,62)(H,53,63)(H,57,58)(H,66,67)(H4,43,44,45)/t22-,23+,24+,25+,26+,27+,28+,31+,32+/m1/s1/f/h46-53,57,66H,43-44H2
InChIKey: InChIKey=GPGKCSDYCZFXMD-DKHAHIGFDC
SMILES: CC(C)CC(C(=O)NCC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)N
Names:
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]propanoic acid
Registries:
PubChem CID 10418491
PubChem ID 15436163
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