For research use only. Not for therapeutic Use.
CAS Number | 92000-72-1 |
Synonyms | (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
Molecular Formula | C56H72N10O18S |
Purity | ≥95% |
IUPAC Name | (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
InChI | InChI=1S/C56H72N10O18S/c1-28(2)46(55(82)66-21-5-7-43(66)53(80)62-39(25-44(70)71)50(77)59-37(48(75)58-29(3)56(83)84)22-30-8-14-33(67)15-9-30)64-51(78)40(26-45(72)73)60-49(76)38(23-31-10-16-34(68)17-11-31)61-52(79)42-6-4-20-65(42)54(81)41(63-47(74)36(57)27-85)24-32-12-18-35(69)19-13-32/h8-19,28-29,36-43,46,67-69,85H,4-7,20-27,57H2,1-3H3,(H,58,75)(H,59,77)(H,60,76)(H,61,79)(H,62,80)(H,63,74)(H,64,78)(H,70,71)(H,72,73)(H,83,84)/t29-,36-,37-,38-,39-,40-,41-,42-,43-,46-/m0/s1 |
InChIKey | DJQPKBDJPGAMFB-QFKGLCFGSA-N |
SMILES | C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CS)N |
Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |