Imuvert

Structural Information

Molecular Formula

C₆₅H₉₀N₁₂O₂₅

SMILES

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

InChI

InChI=1S/C65H90N12O25/c1-6-33(4)54(76-58(94)41(22-27-51(87)88)69-55(91)38(19-24-48(81)82)70-59(95)43(29-35-11-8-7-9-12-35)74-60(96)45(31-52(89)90)67-34(5)78)64(100)77-28-10-13-46(77)62(98)71-40(21-26-50(85)86)56(92)68-39(20-25-49(83)84)57(93)73-44(30-36-14-16-37(79)17-15-36)61(97)75-53(32(2)3)63(99)72-42(65(101)102)18-23-47(66)80/h7-9,11-12,14-17,32-33,38-46,53-54,79H,6,10,13,18-31H2,1-5H3,(H2,66,80)(H,67,78)(H,68,92)(H,69,91)(H,70,95)(H,71,98)(H,72,99)(H,73,93)(H,74,96)(H,75,97)(H,76,94)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,101,102)/t33-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-/m0/s1

InChIKey

NEJYHHVQXBABIQ-WCTWPDOZSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoic acid

Related CIDs

• CID 133082074