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

Structural Information

Molecular Formula

C₆₆H₁₀₅N₂₃O₁₆S

SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)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/C66H105N23O16S/c1-37(79-56(96)42(16-8-25-75-65(70)71)81-60(100)49-19-11-28-88(49)62(102)43(17-9-26-76-66(72)73)82-54(94)40(68)21-22-51(69)91)53(93)86-47(35-90)58(98)84-45(32-39-33-74-36-78-39)57(97)80-41(15-6-7-24-67)55(95)77-34-52(92)87-27-10-18-48(87)59(99)83-44(23-30-106-2)63(103)89-29-12-20-50(89)61(101)85-46(64(104)105)31-38-13-4-3-5-14-38/h3-5,13-14,33,36-37,40-50,90H,6-12,15-32,34-35,67-68H2,1-2H3,(H2,69,91)(H,74,78)(H,77,95)(H,79,96)(H,80,97)(H,81,100)(H,82,94)(H,83,99)(H,84,98)(H,85,101)(H,86,93)(H,104,105)(H4,70,71,75)(H4,72,73,76)/t37-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

LQMVKGOKAXMWGH-KILGZPTDSA-N

Compound name

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

Related CIDs

• CID 25081216