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

Structural Information

Molecular Formula

C₆₅H₁₀₆N₂₄O₁₅S₂

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)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC4=CC=C(C=C4)O

InChI

InChI=1S/C65H106N24O15S2/c66-25-3-1-10-41-54(95)84-45(11-2-4-26-67)60(101)89-31-9-16-50(89)59(100)87-48(33-37-19-23-39(91)24-20-37)57(98)83-43(13-6-28-77-63(71)72)53(94)81-44(14-7-30-79-65(75)104)55(96)88-49(58(99)85-46(61(102)103)15-8-29-78-64(73)74)35-106-105-34-40(68)51(92)86-47(32-36-17-21-38(90)22-18-36)56(97)82-42(52(93)80-41)12-5-27-76-62(69)70/h17-24,40-50,90-91H,1-16,25-35,66-68H2,(H,80,93)(H,81,94)(H,82,97)(H,83,98)(H,84,95)(H,85,99)(H,86,92)(H,87,100)(H,88,96)(H,102,103)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)(H3,75,79,104)/t40-,41-,42-,43-,44-,45+,46-,47-,48-,49-,50-/m0/s1

InChIKey

NGGTYPBBUKUVHQ-QHOPOSNLSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-15-amino-3,6-bis(4-aminobutyl)-23-[3-(carbamoylamino)propyl]-9,26-bis[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]pentatriacontane-20-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

• CID 25080218