Nh2-gln-arg-pro-arg-leu-ser-his-lys-ala-pro-met-pro-phe-oh

Structural Information

Molecular Formula

C₇₀H₁₁₃N₂₃O₁₆S

SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C70H113N23O16S/c1-39(2)33-48(87-58(98)45(18-10-27-79-69(74)75)84-62(102)53-21-13-30-92(53)66(106)46(19-11-28-80-70(76)77)85-56(96)43(72)23-24-55(73)95)59(99)90-51(37-94)61(101)88-49(35-42-36-78-38-81-42)60(100)83-44(17-8-9-26-71)57(97)82-40(3)65(105)91-29-12-20-52(91)63(103)86-47(25-32-110-4)67(107)93-31-14-22-54(93)64(104)89-50(68(108)109)34-41-15-6-5-7-16-41/h5-7,15-16,36,38-40,43-54,94H,8-14,17-35,37,71-72H2,1-4H3,(H2,73,95)(H,78,81)(H,82,97)(H,83,100)(H,84,102)(H,85,96)(H,86,103)(H,87,98)(H,88,101)(H,89,104)(H,90,99)(H,108,109)(H4,74,75,79)(H4,76,77,80)/t40-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1

InChIKey

GPCXHAFSJBZHRU-NEKUJUKLSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 25081219