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

Structural Information

Molecular Formula

C₆₆H₁₀₉N₂₁O₁₆S

SMILES

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C66H109N21O16S/c1-37(2)33-45(82-56(94)42(18-10-27-74-65(70)71)79-60(98)49-21-13-30-86(49)62(100)43(19-11-28-75-66(72)73)80-54(92)40(68)23-24-51(69)89)57(95)84-47(36-88)58(96)77-38(3)53(91)78-41(17-8-9-26-67)55(93)76-35-52(90)85-29-12-20-48(85)59(97)81-44(25-32-104-4)63(101)87-31-14-22-50(87)61(99)83-46(64(102)103)34-39-15-6-5-7-16-39/h5-7,15-16,37-38,40-50,88H,8-14,17-36,67-68H2,1-4H3,(H2,69,89)(H,76,93)(H,77,96)(H,78,91)(H,79,98)(H,80,92)(H,81,97)(H,82,94)(H,83,99)(H,84,95)(H,102,103)(H4,70,71,74)(H4,72,73,75)/t38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

YFNAPFHYIODFRT-XNCDWMKKSA-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]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 5496323