For research use only. Not for therapeutic Use.
Catalog Number | M029571 |
CAS Number | 120944-72-1 |
Molecular Formula | C65H98N16O19 |
Purity | ≥95% |
Storage | Store at -20°C |
IUPAC Name | (4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-5-[(2S)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid |
InChI | InChI=1S/C65H98N16O19/c1-34(2)30-41(53(88)71-39(22-23-50(84)85)60(95)78-26-8-13-44(78)54(89)72-40(64(99)100)12-6-24-69-65(67)68)73-55(90)45-14-9-28-80(45)62(97)43(32-51(86)87)75-56(91)46-15-10-27-79(46)61(96)42(31-37-18-20-38(82)21-19-37)74-57(92)47-16-11-29-81(47)63(98)52(35(3)4)76-58(93)48-17-7-25-77(48)59(94)36(5)70-49(83)33-66/h18-21,34-36,39-48,52,82H,6-17,22-33,66H2,1-5H3,(H,70,83)(H,71,88)(H,72,89)(H,73,90)(H,74,92)(H,75,91)(H,76,93)(H,84,85)(H,86,87)(H,99,100)(H4,67,68,69)/t36-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1 |
InChIKey | XEVUUFOXAJNOGZ-AEXXRSRZSA-N |
SMILES | CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)NC(=O)C5CCCN5C(=O)C(C(C)C)NC(=O)C6CCCN6C(=O)C(C)NC(=O)CN |