(Q27130287)

CHEBI:60958 (English)

6 October 2016

chemical formula

C₃₇H₆₇N₁₁O₉S

1 reference

CHEBI:60958 (English)

6 October 2016

canonical SMILES

CC(C)CC(C(=O)N)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1CCCCC1)NC(=O)C

1 reference

CHEBI:60958 (English)

6 October 2016

isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1CCCCC1)NC(=O)C

1 reference

CHEBI:60958 (English)

InChI=1S/C37H67N11O9S/c1-20(2)17-27(30(38)51)47-36(57)29(19-49)48-32(53)22(4)43-34(55)26(14-16-58-6)45-31(52)21(3)42-33(54)25(13-10-15-41-37(39)40)46-35(56)28(44-23(5)50)18-24-11-8-7-9-12-24/h20-22,24-29,49H,7-19H2,1-6H3,(H2,38,51)(H,42,54)(H,43,55)(H,44,50)(H,45,52)(H,46,56)(H,47,57)(H,48,53)(H4,39,40,41)/t21-,22-,25-,26-,27-,28-,29-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:60958 (English)

VLECLZIAMQFNIU-QOJCPNLVSA-N

6 October 2016

InChIKey

2 references

CHEBI:60958 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-Acetyl-3-cyclohexyl-L-alanyl-L-arginyl-L-alanyl-L-methionyl-L-alanyl-L-seryl-L-leucinamide (English)

6 October 2016

2 references

CHEBI:60958 (English)

matched by identifier from

6 October 2016

InChIKey

VLECLZIAMQFNIU-QOJCPNLVSA-N

Reaxys registry number

8671882

1 reference

Ac-Cha-Arg-Ala-Met-Ala-Ser-Leu-NH2 (English)

6 October 2016

ChEBI ID

60958

mapping relation type

2 references

Ac-Cha-Arg-Ala-Met-Ala-Ser-Leu-NH2 (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C37H67N11O9S/c1-20(2)17-27(30(38)51)47-36(57)29(19-49)48-32(53)22(4)43-34(55)26(14-16-58-6)45-31(52)21(3)42-33(54)25(13-10-15-41-37(39)40)46-35(56)28(44-23(5)50)18-24-11-8-7-9-12-24/h20-22,24-29,49H,7-19H2,1-6H3,(H2,38,51)(H,42,54)(H,43,55)(H,44,50)(H,45,52)(H,46,56)(H,47,57)(H,48,53)(H4,39,40,41)/t21-,22-,25-,26-,27-,28-,29-/m0/s1

1 reference