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Details

Stereochemistry EPIMERIC
Molecular Formula C25H40N6O5S
Molecular Weight 536.687
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (2R,4R)-1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylate

SMILES

CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C2=CC=CC3=C2NCC(C)C3

InChI

InChIKey=OQUZJZRZDUBLPU-QVWUYWAGSA-N
InChI=1S/C25H40N6O5S/c1-4-36-24(33)20-14-16(2)10-12-31(20)23(32)19(8-6-11-28-25(26)27)30-37(34,35)21-9-5-7-18-13-17(3)15-29-22(18)21/h5,7,9,16-17,19-20,29-30H,4,6,8,10-15H2,1-3H3,(H4,26,27,28)/t16-,17?,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H40N6O5S
Molecular Weight 536.687
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8778X5T7JF
Record Status Validated (UNII)
Record Version