Prochitinase

Structural Information

Molecular Formula

C₅₈H₉₆N₁₈O₂₁

SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C58H96N18O21/c1-30(67-52(90)36(12-5-8-22-60)71-54(92)40(25-33-26-63-29-65-33)74-56(94)42-14-10-24-76(42)57(95)38(17-20-46(83)84)72-50(88)34(62)15-18-44(79)80)47(85)66-31(2)49(87)75-41(28-77)55(93)68-32(3)48(86)70-37(16-19-45(81)82)51(89)64-27-43(78)69-35(11-4-7-21-59)53(91)73-39(58(96)97)13-6-9-23-61/h26,29-32,34-42,77H,4-25,27-28,59-62H2,1-3H3,(H,63,65)(H,64,89)(H,66,85)(H,67,90)(H,68,93)(H,69,78)(H,70,86)(H,71,92)(H,72,88)(H,73,91)(H,74,94)(H,75,87)(H,79,80)(H,81,82)(H,83,84)(H,96,97)/t30-,31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1

InChIKey

NFXGWHCGTZHIQV-BYRBAFNCSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 71598047