Name: Name:(2S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide, (S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-benzyl-N-3,3-trimethylbutanamide
Brand: Angene
SKU: AG00DB59
Rating: 90 (10 reviews)

(2S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide, (S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-benzyl-N-3,3-trimethylbutanamide

CAS No.:

479423-21-7

Catalog Number:

AG00DB59

Molecular Formula:

C21H34N4OS

Molecular Weight:

390.5859

Catalog Number:

AG00DB59

Chemical Name:

CAS Number:

479423-21-7

Molecular Formula:

C21H34N4OS

Molecular Weight:

390.5859

MDL Number:

MFCD10567033

IUPAC Name:

(2S)-2-[[(1R,2R)-2-aminocyclohexyl]carbamothioylamino]-N-benzyl-N,3,3-trimethylbutanamide

InChI:

InChI=1S/C21H34N4OS/c1-21(2,3)18(19(26)25(4)14-15-10-6-5-7-11-15)24-20(27)23-17-13-9-8-12-16(17)22/h5-7,10-11,16-18H,8-9,12-14,22H2,1-4H3,(H2,23,24,27)/t16-,17-,18-/m1/s1

InChI Key:

CNEVMNSDRMDKFO-KZNAEPCWSA-N

SMILES:

S=C(N[C@@H](C(C)(C)C)C(=O)N(Cc1ccccc1)C)N[C@@H]1CCCC[C@H]1N

Complexity:

499

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

390.245g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

390.59g/mol

Monoisotopic Mass:

390.245g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1