Aptaa-lhrh

Structural Information

Molecular Formula

C₆₉H₉₁Cl₂N₁₇O₁₄

SMILES

C[C@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)C

InChI

InChI=1S/C69H91Cl2N17O14/c1-37(2)30-51(59(93)82-50(13-8-28-77-69(74)75)66(100)88-29-9-14-57(88)65(99)79-38(3)67(101)102)83-58(92)49(12-7-27-76-68(72)73)81-61(95)53(33-42-19-25-46(91)26-20-42)85-64(98)56(36-89)87-63(97)55(34-43-35-78-48-11-6-5-10-47(43)48)86-62(96)54(32-41-17-23-45(71)24-18-41)84-60(94)52(80-39(4)90)31-40-15-21-44(70)22-16-40/h5-6,10-11,15-26,35,37-38,49-57,78,89,91H,7-9,12-14,27-34,36H2,1-4H3,(H,79,99)(H,80,90)(H,81,95)(H,82,93)(H,83,92)(H,84,94)(H,85,98)(H,86,96)(H,87,97)(H,101,102)(H4,72,73,76)(H4,74,75,77)/t38-,49-,50+,51+,52-,53+,54-,55-,56+,57+/m1/s1

InChIKey

PHOQLWOIWDIYFR-WUCXBFDXSA-N

Compound name

(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(4-chlorophenyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid

Related CIDs

• CID 25074888