N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide (Q27454938)

SCHEMBL2911618 (English)

19 October 2016

chemical formula

C₃₂H₃₅N₅O₄S

1 reference

SCHEMBL2911618 (English)

19 October 2016

canonical SMILES

CC(C)S(=O)(=O)C1=C(C=C(C=C1)NC(=O)C)C2CCCN2C(=O)C(C3=CC=CC=C3)NC4=CC5=C(C=C4)C(=NC=C5)N

1 reference

SCHEMBL2911618 (English)

19 October 2016

isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C(C=C1)NC(=O)C)[C@H]2CCCN2C(=O)[C@@H](C3=CC=CC=C3)NC4=CC5=C(C=C4)C(=NC=C5)N

1 reference

SCHEMBL2911618 (English)

InChI=1S/C32H35N5O4S/c1-20(2)42(40,41)29-14-12-25(35-21(3)38)19-27(29)28-10-7-17-37(28)32(39)30(22-8-5-4-6-9-22)36-24-11-13-26-23(18-24)15-16-34-31(26)33/h4-6,8-9,11-16,18-20,28,30,36H,7,10,17H2,1-3H3,(H2,33,34)(H,35,38)/t28-,30-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL2911618 (English)

KDJVHAKXSVDSAV-PQHLKRTFSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL2911618 (English)

19 October 2016

2 references

SCHEMBL2911618 (English)

matched by identifier from

19 October 2016

InChIKey

KDJVHAKXSVDSAV-PQHLKRTFSA-N

1 reference

CHEMBL3594315 (English)

19 October 2016

1 reference

0 references

1 reference

4ZXX (English)