Lgaswhrpdk

Structural Information

Molecular Formula

C₅₂H₇₉N₁₇O₁₄

SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C52H79N17O14/c1-27(2)18-32(54)44(75)60-24-41(71)62-28(3)43(74)68-39(25-70)48(79)65-36(19-29-22-59-33-11-5-4-10-31(29)33)45(76)66-37(20-30-23-57-26-61-30)46(77)63-34(13-8-16-58-52(55)56)50(81)69-17-9-14-40(69)49(80)67-38(21-42(72)73)47(78)64-35(51(82)83)12-6-7-15-53/h4-5,10-11,22-23,26-28,32,34-40,59,70H,6-9,12-21,24-25,53-54H2,1-3H3,(H,57,61)(H,60,75)(H,62,71)(H,63,77)(H,64,78)(H,65,79)(H,66,76)(H,67,80)(H,68,74)(H,72,73)(H,82,83)(H4,55,56,58)/t28-,32-,34-,35-,36-,37-,38-,39-,40-/m0/s1

InChIKey

GTKPMOLKQUKRPK-YARDOZSZSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]hexanoic acid

Related CIDs

• CID 5480835