For research use only. Not for therapeutic Use.
Catalog Number | M133975 |
CAS Number | 156707-52-7 |
Molecular Formula | C53H84N12O16 |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | (2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]butanedioic acid |
InChI | InChI=1S/C53H84N12O16/c1-10-28(8)43(51(78)62-37(53(80)81)24-41(69)70)64-48(75)35(23-40(56)68)60-50(77)42(27(6)7)63-46(73)33(17-18-39(55)67)58-44(71)29(9)57-49(76)38-12-11-19-65(38)52(79)36(21-26(4)5)61-47(74)34(20-25(2)3)59-45(72)32(54)22-30-13-15-31(66)16-14-30/h13-16,25-29,32-38,42-43,66H,10-12,17-24,54H2,1-9H3,(H2,55,67)(H2,56,68)(H,57,76)(H,58,71)(H,59,72)(H,60,77)(H,61,74)(H,62,78)(H,63,73)(H,64,75)(H,69,70)(H,80,81)/t28-,29-,32-,33-,34-,35-,36-,37-,38-,42-,43-/m0/s1 |
InChIKey | VWRHOUYEKBHWHB-FZGLSYQKSA-N |
SMILES | CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)N |