Nh2-ile-tyr-asp-pro-thr-leu-tyr-gly-leu-glu-phe-asp-cooh

Structural Information

Molecular Formula

C₆₉H₉₆N₁₂O₂₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)O)C(=O)O)N

InChI

InChI=1S/C69H96N12O22/c1-8-37(6)57(70)66(99)76-49(31-41-18-22-43(84)23-19-41)63(96)78-50(32-55(88)89)68(101)81-26-12-15-52(81)65(98)80-58(38(7)82)67(100)77-46(28-36(4)5)62(95)74-47(30-40-16-20-42(83)21-17-40)59(92)71-34-53(85)72-45(27-35(2)3)61(94)73-44(24-25-54(86)87)60(93)75-48(29-39-13-10-9-11-14-39)64(97)79-51(69(102)103)33-56(90)91/h9-11,13-14,16-23,35-38,44-52,57-58,82-84H,8,12,15,24-34,70H2,1-7H3,(H,71,92)(H,72,85)(H,73,94)(H,74,95)(H,75,93)(H,76,99)(H,77,100)(H,78,96)(H,79,97)(H,80,98)(H,86,87)(H,88,89)(H,90,91)(H,102,103)/t37-,38+,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-/m0/s1

InChIKey

CMMPYLJJULXMCU-OZHFILRDSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid

Related CIDs

• CID 16134032