(Q27460937)

CHEMBL3527413 (English)

19 October 2016

chemical formula

C₁₉H₂₆N₄O₆S₂

1 reference

CHEMBL3527413 (English)

19 October 2016

canonical SMILES

C1=CC=C(C=C1)CCNC(=S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

1 reference

CHEMBL3527413 (English)

19 October 2016

isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

1 reference

CHEMBL3527413 (English)

InChI=1S/C19H26N4O6S2/c20-13(18(28)29)6-7-15(24)23-14(17(27)22-10-16(25)26)11-31-19(30)21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,20H2,(H,21,30)(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3527413 (English)

WSGBVCNCZSZCGE-KBPBESRZSA-N

19 October 2016

InChIKey

2 references

CHEMBL3527413 (English)

19 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEMBL3527413 (English)

matched by identifier from

19 October 2016

InChIKey

WSGBVCNCZSZCGE-KBPBESRZSA-N

ChEBI ID

136426

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H26N4O6S2/c20-13(18(28)29)6-7-15(24)23-14(17(27)22-10-16(25)26)11-31-19(30)21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,20H2,(H,21,30)(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1

1 reference

CHEMBL3527413 (English)

19 October 2016

1 reference

0 references

1 reference

5JCU (English)

19 October 2016

1 reference

5JCW (English)