CEMADOTIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H56N6O5.ClH
Molecular Weight	677.317
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC3=CC=CC=C3

InChI

InChIKey=MRJQTLJSMQOFTP-JGTKTWDESA-N

InChI=1S/C35H56N6O5.ClH/c1-22(2)28(37-32(43)29(23(3)4)38(7)8)34(45)39(9)30(24(5)6)35(46)41-20-14-18-27(41)33(44)40-19-13-17-26(40)31(42)36-21-25-15-11-10-12-16-25;/h10-12,15-16,22-24,26-30H,13-14,17-21H2,1-9H3,(H,36,42)(H,37,43);1H/t26-,27-,28-,29-,30-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CEMADOTIN HYDROCHLORIDE

Common Name

English

L-PROLINAMIDE, N,N-DIMETHYL-L-VALYL-L-VALYL-N-METHYL-L-VALYL-L-PROLYL-N-(PHENYLMETHYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67422