Adlevvaatyvlva

Structural Information

Molecular Formula

C₆₆H₁₀₈N₁₄O₂₁

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C66H108N14O21/c1-28(2)24-42(73-58(92)45(27-47(85)86)72-53(87)34(13)67)57(91)71-41(22-23-46(83)84)56(90)76-51(33(11)12)64(98)79-49(31(7)8)61(95)69-35(14)54(88)68-36(15)55(89)80-52(38(17)81)65(99)75-44(26-39-18-20-40(82)21-19-39)60(94)78-50(32(9)10)63(97)74-43(25-29(3)4)59(93)77-48(30(5)6)62(96)70-37(16)66(100)101/h18-21,28-38,41-45,48-52,81-82H,22-27,67H2,1-17H3,(H,68,88)(H,69,95)(H,70,96)(H,71,91)(H,72,87)(H,73,92)(H,74,97)(H,75,99)(H,76,90)(H,77,93)(H,78,94)(H,79,98)(H,80,89)(H,83,84)(H,85,86)(H,100,101)/t34-,35-,36-,37-,38+,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-/m0/s1

InChIKey

REJJQVJXNRWDKC-LPRQPANISA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16072935