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

Structural Information

Molecular Formula

C₆₇H₁₀₇N₂₃O₁₆

SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)CNC(=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/C67H107N23O16/c1-37(2)30-45(84-56(96)43(17-9-25-76-66(71)72)82-61(101)51-21-13-29-90(51)64(104)44(18-10-26-77-67(73)74)83-54(94)41(69)22-23-52(70)92)57(97)87-48(35-91)59(99)85-46(32-40-33-75-36-79-40)58(98)81-42(16-7-8-24-68)55(95)78-34-53(93)88-27-11-19-49(88)60(100)80-38(3)63(103)89-28-12-20-50(89)62(102)86-47(65(105)106)31-39-14-5-4-6-15-39/h4-6,14-15,33,36-38,41-51,91H,7-13,16-32,34-35,68-69H2,1-3H3,(H2,70,92)(H,75,79)(H,78,95)(H,80,100)(H,81,98)(H,82,101)(H,83,94)(H,84,96)(H,85,99)(H,86,102)(H,87,97)(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

HHISWGHEYOLXIA-ZAKCYKDZSA-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]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 25081221