(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-[[(1S)-1-carboxy-2-sulfanyl-ethyl]carbamoylmethylcarbamoyl]butanoic acid
Molecular Formula:
C44H64N12O13S2
InChI: InChI=1/C44H64N12O13S2/c1-21(2)11-29(41(65)56-36(22(3)4)43(67)51-28(9-10-35(59)60)38(62)48-16-34(58)50-33(19-71)44(68)69)53-42(66)32(17-57)55-40(64)31(13-24-15-46-20-49-24)54-39(63)30(52-37(61)26(45)18-70)12-23-14-47-27-8-6-5-7-25(23)27/h5-8,14-15,20-22,26,28-33,36,47,57,70-71H,9-13,16-19,45H2,1-4H3,(H,46,49)(H,48,62)(H,50,58)(H,51,67)(H,52,61)(H,53,66)(H,54,63)(H,55,64)(H,56,65)(H,59,60)(H,68,69)/t26-,28-,29-,30-,31-,32-,33-,36-/m0/s1/f/h48-56,59,68H
InChIKey: InChIKey=MNPMUEYTZWSWOM-MEBIEUDBDR
SMILES: CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CS)C(=O)O)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CS)N
Names:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-[[(1S)-1-carboxy-2-sulfanyl-ethyl]carbamoylmethylcarbamoyl]butanoic acid
Registries:
PubChem CID 10011306
PubChem ID 14991071
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