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

Structural Information

Molecular Formula

C₆₇H₁₀₉N₂₃O₁₆S

SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CN=CN3)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/C67H109N23O16S/c1-37(2)30-46(85-57(97)43(17-10-25-76-66(71)72)82-61(101)50-19-12-27-89(50)63(103)44(18-11-26-77-67(73)74)84-55(95)41(69)21-22-52(70)92)58(98)88-49(35-91)60(100)86-47(32-40-33-75-36-79-40)59(99)81-42(16-8-9-24-68)56(96)78-34-53(93)80-38(3)54(94)83-45(23-29-107-4)64(104)90-28-13-20-51(90)62(102)87-48(65(105)106)31-39-14-6-5-7-15-39/h5-7,14-15,33,36-38,41-51,91H,8-13,16-32,34-35,68-69H2,1-4H3,(H2,70,92)(H,75,79)(H,78,96)(H,80,93)(H,81,99)(H,82,101)(H,83,94)(H,84,95)(H,85,97)(H,86,100)(H,87,102)(H,88,98)(H,105,106)(H4,71,72,76)(H4,73,74,77)/t38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1

InChIKey

HIMJPZHDKOCCGR-ZAKCYKDZSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[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]acetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 25081220