Nh2-val-gly-ser-ile-leu-ile-gln-arg-gly-pro-gly-ala-ala-phe-tyr-cooh

Structural Information

Molecular Formula

C₇₂H₁₁₃N₁₉O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C72H113N19O19/c1-11-39(7)58(89-65(103)48(30-37(3)4)87-70(108)59(40(8)12-2)90-66(104)51(36-92)83-55(96)34-79-68(106)57(74)38(5)6)69(107)85-47(26-27-53(73)94)63(101)84-46(20-16-28-77-72(75)76)62(100)80-35-56(97)91-29-17-21-52(91)67(105)78-33-54(95)81-41(9)60(98)82-42(10)61(99)86-49(31-43-18-14-13-15-19-43)64(102)88-50(71(109)110)32-44-22-24-45(93)25-23-44/h13-15,18-19,22-25,37-42,46-52,57-59,92-93H,11-12,16-17,20-21,26-36,74H2,1-10H3,(H2,73,94)(H,78,105)(H,79,106)(H,80,100)(H,81,95)(H,82,98)(H,83,96)(H,84,101)(H,85,107)(H,86,99)(H,87,108)(H,88,102)(H,89,103)(H,90,104)(H,109,110)(H4,75,76,77)/t39-,40-,41-,42-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-/m0/s1

InChIKey

FLWMFVGGEGEOKP-MUHJBCMXSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 25082982