Nh2-arg-arg-nal-cys(x1)-lys-d-lys-pro-tyr-cys(x1)-arg-oh

Structural Information

Molecular Formula

C₆₃H₉₇N₂₁O₁₂S₂

SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCCCN)CCCCN)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CC5=CC=C(C=C5)O

InChI

InChI=1S/C63H97N21O12S2/c64-25-5-3-14-42-52(87)78-44(15-4-6-26-65)59(94)84-30-10-18-50(84)58(93)81-46(32-36-20-23-40(85)24-21-36)54(89)83-49(57(92)79-45(60(95)96)17-9-29-75-63(71)72)35-98-97-34-48(56(91)77-42)82-55(90)47(33-37-19-22-38-11-1-2-12-39(38)31-37)80-53(88)43(16-8-28-74-62(69)70)76-51(86)41(66)13-7-27-73-61(67)68/h1-2,11-12,19-24,31,41-50,85H,3-10,13-18,25-30,32-35,64-66H2,(H,76,86)(H,77,91)(H,78,87)(H,79,92)(H,80,88)(H,81,93)(H,82,90)(H,83,89)(H,95,96)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t41-,42-,43-,44+,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

AQKVUPOCCYKRLS-VKWYYZKZSA-N

Compound name

(2S)-2-[[(3R,6S,9R,14R,17S,20S)-3,6-bis(4-aminobutyl)-9-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-17-[(4-hydroxyphenyl)methyl]-2,5,8,16,19-pentaoxo-11,12-dithia-1,4,7,15,18-pentazabicyclo[18.3.0]tricosane-14-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 25080219