For research use only. Not for therapeutic Use.
Catalog Number | M129228 |
CAS Number | 172516-80-2 |
Molecular Formula | C49H72N8O15S |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid |
InChI | InChI=1S/C49H72N8O15S/c1-25(2)18-34(52-42(64)32(50)23-40(60)61)45(67)54-37(22-29-10-14-31(59)15-11-29)47(69)55-36(21-28-8-12-30(58)13-9-28)46(68)53-35(19-26(3)4)44(66)51-33(16-17-73-7)43(65)56-38(24-41(62)63)48(70)57-39(49(71)72)20-27(5)6/h8-15,25-27,32-39,58-59H,16-24,50H2,1-7H3,(H,51,66)(H,52,64)(H,53,68)(H,54,67)(H,55,69)(H,56,65)(H,57,70)(H,60,61)(H,62,63)(H,71,72)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 |
InChIKey | NSIKONOIBPLGKP-FDISYFBBSA-N |
SMILES | CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N |