Nh2-cycrrrfcvcvgr-nh2

Structural Information

Molecular Formula

C₆₆H₁₀₆N₂₆O₁₄S₄

SMILES

CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N

InChI

InChI=1S/C66H106N26O14S4/c1-33(2)49(61(105)81-28-48(94)82-39(51(68)95)14-8-22-77-63(69)70)91-60(104)47-32-108-107-29-38(67)52(96)86-43(27-36-18-20-37(93)21-19-36)56(100)88-45-30-109-110-31-46(59(103)92-50(34(3)4)62(106)90-47)89-57(101)44(26-35-12-6-5-7-13-35)87-55(99)42(17-11-25-80-66(75)76)84-53(97)40(15-9-23-78-64(71)72)83-54(98)41(85-58(45)102)16-10-24-79-65(73)74/h5-7,12-13,18-21,33-34,38-47,49-50,93H,8-11,14-17,22-32,67H2,1-4H3,(H2,68,95)(H,81,105)(H,82,94)(H,83,98)(H,84,97)(H,85,102)(H,86,96)(H,87,99)(H,88,100)(H,89,101)(H,90,106)(H,91,104)(H,92,103)(H4,69,70,77)(H4,71,72,78)(H4,73,74,79)(H4,75,76,80)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-,50-/m0/s1

InChIKey

BCZZYFMTAGMBRD-WGVZCDAXSA-N

Compound name

(1R,4S,7R,12R,15S,18R,21S,24S,27S,30S)-7-amino-N-[(2S)-1-[[2-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-21-benzyl-24,27,30-tris(3-carbamimidamidopropyl)-4-[(4-hydroxyphenyl)methyl]-3,6,14,17,20,23,26,29,32-nonaoxo-15-propan-2-yl-9,10,34,35-tetrathia-2,5,13,16,19,22,25,28,31-nonazabicyclo[16.14.4]hexatriacontane-12-carboxamide

Related CIDs

• CID 16130838