Aahtp-bradykinin

Structural Information

Molecular Formula

C₆₇H₉₇N₁₉O₁₄S₂

SMILES

C1CC(N(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CC(CC5C(=O)NCC(=O)NC(CC6=CC=CS6)C(=O)NC(CO)C(=O)NC(CC7=CC=CC=C7)C(=O)NC(CC8=CC=CS8)C(=O)NC(CCCN=C(N)N)C(=O)O)O

InChI

InChI=1S/C67H97N19O14S2/c68-64(69)74-18-4-14-44(84-63(100)67-31-38-24-39(32-67)26-40(25-38)33-67)54(90)79-45(15-5-19-75-65(70)71)60(96)85-21-7-17-51(85)61(97)86-35-41(88)28-52(86)59(95)77-34-53(89)78-48(29-42-12-8-22-101-42)56(92)83-50(36-87)58(94)81-47(27-37-10-2-1-3-11-37)55(91)82-49(30-43-13-9-23-102-43)57(93)80-46(62(98)99)16-6-20-76-66(72)73/h1-3,8-13,22-23,38-41,44-52,87-88H,4-7,14-21,24-36H2,(H,77,95)(H,78,89)(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,83,92)(H,84,100)(H,98,99)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)

InChIKey

UDQHGKDKOSVRCN-UHFFFAOYSA-N

Compound name

2-[[2-[[2-[[2-[[2-[[2-[[1-[1-[2-[[2-(adamantane-1-carbonylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-thiophen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 25078014