Rev backbone cyclic peptide 10

Structural Information

Molecular Formula

C₅₉H₁₁₁N₃₁O₁₃S

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N(CCCNC(=O)CCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CCCN=C(N)N)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N)CCCN=C(N)N)CCCN=C(N)N

InChI

InChI=1S/C59H111N31O13S/c1-32-46(96)84-35(14-7-24-77-56(66)67)51(101)88-39(17-10-27-80-59(72)73)53(103)90(29-11-28-74-42(92)18-3-2-4-19-43(93)82-33(12-5-22-75-54(62)63)48(98)87-38(47(97)81-32)20-21-41(60)91)30-44(94)83-34(13-6-23-76-55(64)65)49(99)85-36(15-8-25-78-57(68)69)50(100)86-37(16-9-26-79-58(70)71)52(102)89-40(31-104)45(61)95/h32-40,104H,2-31H2,1H3,(H2,60,91)(H2,61,95)(H,74,92)(H,81,97)(H,82,93)(H,83,94)(H,84,96)(H,85,99)(H,86,100)(H,87,98)(H,88,101)(H,89,102)(H4,62,63,75)(H4,64,65,76)(H4,66,67,77)(H4,68,69,78)(H4,70,71,79)(H4,72,73,80)/t32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1

InChIKey

ARRANJBCOKRFES-LCQMPJFHSA-N

Compound name

(2S)-2-[[2-[(2S,5S,8S,11S,14S)-5-(3-amino-3-oxopropyl)-2,11,14-tris[3-(diaminomethylideneamino)propyl]-8-methyl-3,6,9,12,15,21,27-heptaoxo-1,4,7,10,13,16,20-heptazacycloheptacos-16-yl]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide

Related CIDs

• CID 49767946