Cys-tyr-cit-lys-dglu-pro-tyr-arg-cit-cys-arg-nh2

Structural Information

Molecular Formula

C₆₄H₁₀₁N₂₃O₁₇S₂

SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCC(=O)O)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC4=CC=C(C=C4)O

InChI

InChI=1S/C64H101N23O17S2/c65-24-2-1-8-40-54(96)83-44(22-23-49(90)91)60(102)87-29-7-13-48(87)59(101)85-46(31-35-16-20-37(89)21-17-35)57(99)82-41(10-4-26-75-62(70)71)53(95)80-43(12-6-28-77-64(73)104)55(97)86-47(58(100)78-39(50(67)92)9-3-25-74-61(68)69)33-106-105-32-38(66)51(93)84-45(30-34-14-18-36(88)19-15-34)56(98)81-42(52(94)79-40)11-5-27-76-63(72)103/h14-21,38-48,88-89H,1-13,22-33,65-66H2,(H2,67,92)(H,78,100)(H,79,94)(H,80,95)(H,81,98)(H,82,99)(H,83,96)(H,84,93)(H,85,101)(H,86,97)(H,90,91)(H4,68,69,74)(H4,70,71,75)(H3,72,76,103)(H3,73,77,104)/t38-,39-,40-,41-,42-,43-,44+,45-,46-,47-,48-/m0/s1

InChIKey

OILYTBLTFRNFCC-ZNVNJBSMSA-N

Compound name

3-[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-15-amino-6-(4-aminobutyl)-20-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-9,23-bis[3-(carbamoylamino)propyl]-26-[3-(diaminomethylideneamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontan-3-yl]propanoic acid

Related CIDs

• CID 25081214