Ns4a-derived peptide 38

Structural Information

Molecular Formula

C₆₇H₁₂₂N₂₂O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CN

InChI

InChI=1S/C67H122N22O19/c1-15-36(12)52(63(106)82-41(24-32(4)5)58(101)83-42(30-90)56(99)76-27-46(94)79-39(20-18-22-73-66(69)70)55(98)78-29-48(96)97)89-65(108)53(37(13)16-2)87-57(100)40(21-19-23-74-67(71)72)80-47(95)28-77-60(103)49(33(6)7)85-64(107)54(38(14)17-3)88-62(105)51(35(10)11)86-61(104)50(34(8)9)84-59(102)43(31-91)81-45(93)26-75-44(92)25-68/h32-43,49-54,90-91H,15-31,68H2,1-14H3,(H,75,92)(H,76,99)(H,77,103)(H,78,98)(H,79,94)(H,80,95)(H,81,93)(H,82,106)(H,83,101)(H,84,102)(H,85,107)(H,86,104)(H,87,100)(H,88,105)(H,89,108)(H,96,97)(H4,69,70,73)(H4,71,72,74)/t36-,37-,38-,39-,40-,41-,42-,43-,49-,50-,51-,52-,53-,54-/m0/s1

InChIKey

BSULGKNFGFGBCO-CEHVCCEHSA-N

Compound name

2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid

Related CIDs

• CID 482176