Nh2-phe-arg-lys-gln-asn-pro-asp-ile-val-ile-tyr-gln-tyr-met-asp-cooh

Structural Information

Molecular Formula

C₈₈H₁₃₂N₂₂O₂₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C88H132N22O25S/c1-8-46(5)71(84(131)104-60(41-50-24-28-52(112)29-25-50)80(127)100-56(30-32-65(91)113)76(123)102-59(40-49-22-26-51(111)27-23-49)79(126)101-58(34-38-136-7)78(125)106-63(87(134)135)44-69(118)119)109-83(130)70(45(3)4)107-85(132)72(47(6)9-2)108-81(128)61(43-68(116)117)103-82(129)64-21-16-37-110(64)86(133)62(42-67(93)115)105-77(124)57(31-33-66(92)114)99-74(121)54(19-13-14-35-89)98-75(122)55(20-15-36-96-88(94)95)97-73(120)53(90)39-48-17-11-10-12-18-48/h10-12,17-18,22-29,45-47,53-64,70-72,111-112H,8-9,13-16,19-21,30-44,89-90H2,1-7H3,(H2,91,113)(H2,92,114)(H2,93,115)(H,97,120)(H,98,122)(H,99,121)(H,100,127)(H,101,126)(H,102,123)(H,103,129)(H,104,131)(H,105,124)(H,106,125)(H,107,132)(H,108,128)(H,109,130)(H,116,117)(H,118,119)(H,134,135)(H4,94,95,96)/t46-,47-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-,71-,72-/m0/s1

InChIKey

LJRMXOSFSKBLPZ-NRNMGEIBSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]butanedioic acid

Related CIDs

• CID 16133666