Adlkvvaatyvlva

Structural Information

Molecular Formula

C₆₇H₁₁₃N₁₅O₁₉

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](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C67H113N15O19/c1-30(2)26-44(75-59(92)47(29-48(85)86)74-54(87)36(13)69)58(91)73-43(20-18-19-25-68)57(90)78-52(35(11)12)65(98)81-50(33(7)8)62(95)71-37(14)55(88)70-38(15)56(89)82-53(40(17)83)66(99)77-46(28-41-21-23-42(84)24-22-41)61(94)80-51(34(9)10)64(97)76-45(27-31(3)4)60(93)79-49(32(5)6)63(96)72-39(16)67(100)101/h21-24,30-40,43-47,49-53,83-84H,18-20,25-29,68-69H2,1-17H3,(H,70,88)(H,71,95)(H,72,96)(H,73,91)(H,74,87)(H,75,92)(H,76,97)(H,77,99)(H,78,90)(H,79,93)(H,80,94)(H,81,98)(H,82,89)(H,85,86)(H,100,101)/t36-,37-,38-,39-,40+,43-,44-,45-,46-,47-,49-,50-,51-,52-,53-/m0/s1

InChIKey

HJEBFAPJGKJSRO-CIMGMIGZSA-N

Compound name

(3S)-4-[[(2S)-1-[[(2S)-6-amino-1-[[(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]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16072963