Adlevvaatyvdva

Structural Information

Molecular Formula

C₆₄H₁₀₂N₁₄O₂₃

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(=O)O)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/C64H102N14O23/c1-26(2)22-39(71-56(92)41(24-44(83)84)70-51(87)31(11)65)55(91)69-38(20-21-43(81)82)54(90)74-49(30(9)10)62(98)77-47(28(5)6)59(95)67-32(12)52(88)66-33(13)53(89)78-50(35(15)79)63(99)72-40(23-36-16-18-37(80)19-17-36)57(93)76-48(29(7)8)61(97)73-42(25-45(85)86)58(94)75-46(27(3)4)60(96)68-34(14)64(100)101/h16-19,26-35,38-42,46-50,79-80H,20-25,65H2,1-15H3,(H,66,88)(H,67,95)(H,68,96)(H,69,91)(H,70,87)(H,71,92)(H,72,99)(H,73,97)(H,74,90)(H,75,94)(H,76,93)(H,77,98)(H,78,89)(H,81,82)(H,83,84)(H,85,86)(H,100,101)/t31-,32-,33-,34-,35+,38-,39-,40-,41-,42-,46-,47-,48-,49-,50-/m0/s1

InChIKey

LRSXJUCZCCKHKC-CAOUNKLASA-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)-3-carboxy-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-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 16072942