Val-asp-(arg8)-vasopressin

Structural Information

Molecular Formula

C₅₅H₇₉N₁₇O₁₆S₂

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)CCC(=O)N)CC(=O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)N

InChI

InChI=1S/C55H79N17O16S2/c1-27(2)44(59)53(87)69-36(23-43(77)78)50(84)70-37-25-89-90-26-38(54(88)72-19-7-11-39(72)52(86)65-31(10-6-18-62-55(60)61)45(79)63-24-42(58)76)71-49(83)35(22-41(57)75)68-46(80)32(16-17-40(56)74)64-47(81)33(20-28-8-4-3-5-9-28)66-48(82)34(67-51(37)85)21-29-12-14-30(73)15-13-29/h3-5,8-9,12-15,27,31-39,44,73H,6-7,10-11,16-26,59H2,1-2H3,(H2,56,74)(H2,57,75)(H2,58,76)(H,63,79)(H,64,81)(H,65,86)(H,66,82)(H,67,85)(H,68,80)(H,69,87)(H,70,84)(H,71,83)(H,77,78)(H4,60,61,62)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,44-/m0/s1

InChIKey

VENNWKYCUPKLJJ-YRUGJKAHSA-N

Compound name

(3S)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-[[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 92043762