(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-1-carboxyethyl]carbamoyl]butanoic acid

Molecular Formula: C45H78N12O16


InChI: InChI=1/C45H78N12O16/c1-20(2)15-27(38(66)52-26(12-13-32(58)59)36(64)50-24(9)44(72)73)53-40(68)28(16-21(3)4)54-41(69)31(19-34(62)63)56-42(70)30(18-33(60)61)55-37(65)25(11-10-14-49-45(47)48)51-39(67)29(17-22(5)6)57-43(71)35(46)23(7)8/h20-31,35H,10-19,46H2,1-9H3,(H,50,64)(H,51,67)(H,52,66)(H,53,68)(H,54,69)(H,55,65)(H,56,70)(H,57,71)(H,58,59)(H,60,61)(H,62,63)(H,72,73)(H4,47,48,49)/t24-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1/f/h50-58,60,62,72H,47-48H2

InChIKey: InChIKey=FFNJXTAXFYBJJP-WUDUNYSNDN
SMILES: CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N

Names:
    (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-1-carboxyethyl]carbamoyl]butanoic acid

Registries:
    PubChem CID 10418598
    PubChem ID 15436267