← Back

Nombre: TFA (D)Arg-(D)Nle-(D)Nle-(D)Nle-(D)Arg-(D)Nle-(D)Nle-(D)Nle-Gly-(D)Tyr-NH2

IUPAC: (2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[2-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]hexanamide;2,2,2-trifluoroacetic acid

SMILES: CCCC[C@@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F

Canonical SMILES: CCCCC(C(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CCCN=C(N)N)N.C(=O)(C(F)(F)F)O

Fórmula molecular: C61H106F3N17O13

Masa molecular: 1342.60

InChIKey: QWHWQIKIQHTWGL-XCQJOGLYSA-N

InChI: InChI=1S/C59H105N17O11.C2HF3O2/c1-7-13-22-40(51(81)68-36-48(78)69-47(49(61)79)35-37-29-31-38(77)32-30-37)71-53(83)42(24-15-9-3)73-55(85)44(26-17-11-5)75-57(87)46(28-20-34-67-59(64)65)76-56(86)45(27-18-12-6)74-54(84)43(25-16-10-4)72-52(82)41(23-14-8-2)70-50(80)39(60)21-19-33-66-58(62)63;3-2(4,5)1(6)7/h29-32,39-47,77H,7-28,33-36,60H2,1-6H3,(H2,61,79)(H,68,81)(H,69,78)(H,70,80)(H,71,83)(H,72,82)(H,73,85)(H,74,84)(H,75,87)(H,76,86)(H4,62,63,66)(H4,64,65,67);(H,6,7)/t39-,40-,41-,42-,43-,44-,45-,46-,47-;/m1./s1

PubChem CID: 131727345 →

Sinónimos

QWHWQIKIQHTWGL-XCQJOGLYSA-NTFA (D)Arg-(D)Nle-(D)Nle-(D)Nle-(D)Arg-(D)Nle-(D)Nle-(D)Nle-Gly-(D)Tyr-NH2

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→