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1-({1-[4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamoyl)-3,6,9,12-tetraoxapentadecan-15-oic acid

1-({1-[4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamoyl)-3,6,9,12-tetraoxapentadecan-15-oic acid

Formula: C34H50N4O10S

SMILES: CC1=C(SC=N1)C1=CC=C(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)CCOCCOCCOCCOCCC(O)=O)C(C)(C)C)C=C1

IUPAC: 1-({1-[4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamoyl)-3,6,9,12-tetraoxapentadecan-15-oic acid

InChI: InChI=1/C34H50N4O10S/c1-23-30(49-22-36-23)25-7-5-24(6-8-25)20-35-32(43)27-19-26(39)21-38(27)33(44)31(34(2,3)4)37-28(40)9-11-45-13-15-47-17-18-48-16-14-46-12-10-29(41)42/h5-8,22,26-27,31,39H,9-21H2,1-4H3,(H,35,43)(H,37,40)(H,41,42)

Composition: C (57.77%), H (7.13%), N (7.93%), O (22.63%), S (4.54%)

Molar Mass: 706.85

Atom Count: 99

Heavy Atom Count: 49

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 706.324765
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 11
Hydrogen Bond Donor Count 4
InChIKey WCMFOLDVYYDUGD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 180.76
Topological Polar Surface Area 185.85
Polarizability 71.93
Ring Count 3
Rotatable Bond Count 22

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Purity (%)
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Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C34H50N4O10S Quote Only