His-d-nal-arg-trp-gly-lys-asp-val-nh2

Structural Information

Molecular Formula

C₅₃H₇₂N₁₆O₁₀

SMILES

CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)N

InChI

InChI=1S/C53H72N16O10/c1-29(2)45(46(56)73)69-52(79)42(24-44(71)72)68-49(76)38(17-7-8-19-54)64-43(70)27-62-48(75)40(22-32-25-61-37-16-6-5-15-35(32)37)67-50(77)39(18-10-20-60-53(57)58)65-51(78)41(66-47(74)36(55)23-33-26-59-28-63-33)21-31-13-9-12-30-11-3-4-14-34(30)31/h3-6,9,11-16,25-26,28-29,36,38-42,45,61H,7-8,10,17-24,27,54-55H2,1-2H3,(H2,56,73)(H,59,63)(H,62,75)(H,64,70)(H,65,78)(H,66,74)(H,67,77)(H,68,76)(H,69,79)(H,71,72)(H4,57,58,60)/t36-,38-,39-,40-,41-,42-,45-/m0/s1

InChIKey

RTOCTBNXRNICOL-QKRFPXMZSA-N

Compound name

(3S)-3-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 3010044