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

Structural Information

Molecular Formula

C₆₆H₁₀₄N₂₀O₁₆S

SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)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]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C66H104N20O16S/c1-37(2)30-45(80-54(90)38(3)76-60(96)50-19-12-27-85(50)63(99)43(17-10-25-73-66(70)71)78-55(91)41(68)21-22-52(69)88)57(93)83-48(35-87)59(95)81-46(32-40-33-72-36-75-40)58(94)77-42(16-8-9-24-67)56(92)74-34-53(89)84-26-11-18-49(84)61(97)79-44(23-29-103-4)64(100)86-28-13-20-51(86)62(98)82-47(65(101)102)31-39-14-6-5-7-15-39/h5-7,14-15,33,36-38,41-51,87H,8-13,16-32,34-35,67-68H2,1-4H3,(H2,69,88)(H,72,75)(H,74,92)(H,76,96)(H,77,94)(H,78,91)(H,79,97)(H,80,90)(H,81,95)(H,82,98)(H,83,93)(H,101,102)(H4,70,71,73)/t38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1

InChIKey

CEJOEABIGLNTBH-ZAKCYKDZSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]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 514189