Tat 36-50 (47)

Structural Information

Molecular Formula

C₆₈H₁₁₈N₂₀O₁₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C68H118N20O19S/c1-11-36(6)52(64(103)84-47(32-89)61(100)77-37(7)55(94)75-30-49(92)79-42(24-19-27-74-68(72)73)59(98)81-44(67(106)107)23-16-18-26-70)86-50(93)31-76-57(96)45(28-34(2)3)82-56(95)38(8)78-58(97)43(22-15-17-25-69)80-65(104)53(39(9)90)88-66(105)54(40(10)91)87-60(99)46(29-41-20-13-12-14-21-41)83-62(101)48(33-108)85-63(102)51(71)35(4)5/h12-14,20-21,34-40,42-48,51-54,89-91,108H,11,15-19,22-33,69-71H2,1-10H3,(H,75,94)(H,76,96)(H,77,100)(H,78,97)(H,79,92)(H,80,104)(H,81,98)(H,82,95)(H,83,101)(H,84,103)(H,85,102)(H,86,93)(H,87,99)(H,88,105)(H,106,107)(H4,72,73,74)/t36-,37-,38-,39+,40+,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-,54-/m0/s1

InChIKey

GKQAOJBJDRMHJK-WZPPVPDFSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Related CIDs

• CID 5481021