Trksiriqrgp

Structural Information

Molecular Formula

C₅₂H₉₆N₂₂O₁₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCN=C(N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C52H96N22O15/c1-6-25(3)38(47(86)69-29(13-14-35(54)77)42(81)67-30(15-19-62-50(56)57)40(79)65-23-36(78)74-22-10-12-34(74)49(88)89)72-44(83)32(17-21-64-52(60)61)70-48(87)39(26(4)7-2)73-45(84)33(24-75)71-41(80)28(11-8-9-18-53)66-43(82)31(16-20-63-51(58)59)68-46(85)37(55)27(5)76/h25-34,37-39,75-76H,6-24,53,55H2,1-5H3,(H2,54,77)(H,65,79)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,70,87)(H,71,80)(H,72,83)(H,73,84)(H,88,89)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t25-,26-,27+,28-,29-,30-,31-,32-,33-,34-,37-,38-,39-/m0/s1

InChIKey

ICGSSTFEDCRIDB-MNUGDWAXSA-N

Compound name

(2S)-1-[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 16072326