L-phenylalanine, n-[3-[6-[(5s,8s,11s,14s)-14-amino-8-[(1s)-1-hydroxyethyl]-15-(1h-indol-3-yl)-5-[(1r)-1-methylpropyl]-11-(2-methylpropyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadec-1-yl]-4-dibenzofuranyl]-1-oxopropyl]-l-allothreonyl-l-tyrosyl-l-asparaginyl-

Structural Information

Molecular Formula

C₇₀H₈₇N₁₁O₁₅

SMILES

CCC(C)[C@@H](C(=O)NCCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)N

InChI

InChI=1S/C70H87N11O15/c1-7-38(4)58(80-69(93)60(40(6)83)81-66(90)52(31-37(2)3)75-63(87)50(71)34-45-36-74-51-22-12-11-19-47(45)51)67(91)73-30-29-44-18-14-21-49-48-20-13-17-43(61(48)96-62(44)49)25-28-57(86)79-59(39(5)82)68(92)77-53(32-42-23-26-46(84)27-24-42)64(88)76-54(35-56(72)85)65(89)78-55(70(94)95)33-41-15-9-8-10-16-41/h8-24,26-27,36-40,50,52-55,58-60,74,82-84H,7,25,28-35,71H2,1-6H3,(H2,72,85)(H,73,91)(H,75,87)(H,76,88)(H,77,92)(H,78,89)(H,79,86)(H,80,93)(H,81,90)(H,94,95)/t38?,39?,40?,50-,52-,53-,54-,55-,58-,59-,60-/m0/s1

InChIKey

GOPWXQJEBKGIQV-CUGFPDIQSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[3-[6-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]ethyl]dibenzofuran-4-yl]propanoylamino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16130668