Nh2-arg-lys-ser-ile-arg-arg-gln-arg-arg-pro-lys-arg-ala-lys-tyr-cooh

Structural Information

Molecular Formula

C₈₅H₁₅₅N₃₇O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C85H155N37O19/c1-4-46(2)64(121-75(136)61(45-123)120-73(134)52(20-6-9-35-87)111-66(127)50(89)18-11-37-103-80(91)92)77(138)117-57(25-15-41-107-84(99)100)70(131)113-55(23-13-39-105-82(95)96)69(130)115-58(32-33-63(90)125)74(135)114-56(24-14-40-106-83(97)98)71(132)118-59(26-16-42-108-85(101)102)78(139)122-43-17-27-62(122)76(137)116-53(21-7-10-36-88)68(129)112-54(22-12-38-104-81(93)94)67(128)109-47(3)65(126)110-51(19-5-8-34-86)72(133)119-60(79(140)141)44-48-28-30-49(124)31-29-48/h28-31,46-47,50-62,64,123-124H,4-27,32-45,86-89H2,1-3H3,(H2,90,125)(H,109,128)(H,110,126)(H,111,127)(H,112,129)(H,113,131)(H,114,135)(H,115,130)(H,116,137)(H,117,138)(H,118,132)(H,119,133)(H,120,134)(H,121,136)(H,140,141)(H4,91,92,103)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)/t46-,47-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-/m0/s1

InChIKey

MGCVIFUZJYSADK-TUDLGIFLSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 16186599