Aecvvscsmsytka

Structural Information

Molecular Formula

C₆₀H₉₉N₁₅O₂₂S₃

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C60H99N15O22S3/c1-27(2)44(74-58(94)45(28(3)4)73-56(92)42(26-99)71-49(85)35(16-17-43(81)82)64-47(83)29(5)62)57(93)70-40(24-78)54(90)72-41(25-98)55(91)69-38(22-76)52(88)65-36(18-20-100-8)50(86)68-39(23-77)53(89)67-37(21-32-12-14-33(80)15-13-32)51(87)75-46(31(7)79)59(95)66-34(11-9-10-19-61)48(84)63-30(6)60(96)97/h12-15,27-31,34-42,44-46,76-80,98-99H,9-11,16-26,61-62H2,1-8H3,(H,63,84)(H,64,83)(H,65,88)(H,66,95)(H,67,89)(H,68,86)(H,69,91)(H,70,93)(H,71,85)(H,72,90)(H,73,92)(H,74,94)(H,75,87)(H,81,82)(H,96,97)/t29-,30-,31+,34-,35-,36-,37-,38-,39-,40-,41-,42-,44-,45-,46-/m0/s1

InChIKey

GRPAEVJGIHWONF-WHOFESCVSA-N

Compound name

(4S)-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxyethyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16073150