Hcslaygdastlvvf

Structural Information

Molecular Formula

C₇₁H₁₀₇N₁₇O₂₂S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC3=CN=CN3)N)O

InChI

InChI=1S/C71H107N17O22S/c1-33(2)21-45(80-65(103)50(29-89)84-67(105)52(31-111)85-60(98)44(72)25-42-27-73-32-75-42)62(100)76-37(9)58(96)79-47(23-41-17-19-43(92)20-18-41)61(99)74-28-53(93)78-48(26-54(94)95)63(101)77-38(10)59(97)83-51(30-90)66(104)88-57(39(11)91)70(108)81-46(22-34(3)4)64(102)86-56(36(7)8)69(107)87-55(35(5)6)68(106)82-49(71(109)110)24-40-15-13-12-14-16-40/h12-20,27,32-39,44-52,55-57,89-92,111H,21-26,28-31,72H2,1-11H3,(H,73,75)(H,74,99)(H,76,100)(H,77,101)(H,78,93)(H,79,96)(H,80,103)(H,81,108)(H,82,106)(H,83,97)(H,84,105)(H,85,98)(H,86,102)(H,87,107)(H,88,104)(H,94,95)(H,109,110)/t37-,38-,39+,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-,57-/m0/s1

InChIKey

LSRWQMNDSIOFEV-LXBQKXDRSA-N

Compound name

(3S)-3-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71596996