Nh2-arg-lys-arg-ile-his-ile-gly-pro-gly-arg-ala-phe-tyr-cooh

Structural Information

Molecular Formula

C₇₂H₁₁₅N₂₅O₁₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C72H115N25O15/c1-6-40(3)57(95-65(107)52(35-45-36-81-39-87-45)93-68(110)58(41(4)7-2)96-63(105)50(22-15-31-84-72(79)80)91-62(104)49(20-11-12-28-73)90-60(102)47(74)19-13-29-82-70(75)76)67(109)86-38-56(100)97-32-16-23-54(97)66(108)85-37-55(99)89-48(21-14-30-83-71(77)78)61(103)88-42(5)59(101)92-51(33-43-17-9-8-10-18-43)64(106)94-53(69(111)112)34-44-24-26-46(98)27-25-44/h8-10,17-18,24-27,36,39-42,47-54,57-58,98H,6-7,11-16,19-23,28-35,37-38,73-74H2,1-5H3,(H,81,87)(H,85,108)(H,86,109)(H,88,103)(H,89,99)(H,90,102)(H,91,104)(H,92,101)(H,93,110)(H,94,106)(H,95,107)(H,96,105)(H,111,112)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t40-,41-,42-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1

InChIKey

WLGHZTJCRAUEHL-CVJRERDASA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 25082979