Aesttpcsgsylka

Structural Information

Molecular Formula

C₅₉H₉₅N₁₅O₂₃S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C59H95N15O23S/c1-27(2)20-36(51(88)66-34(10-7-8-18-60)49(86)63-29(4)59(96)97)67-52(89)37(21-32-12-14-33(80)15-13-32)68-53(90)39(24-76)64-43(81)22-62-48(85)38(23-75)69-55(92)41(26-98)71-56(93)42-11-9-19-74(42)58(95)46(31(6)79)73-57(94)45(30(5)78)72-54(91)40(25-77)70-50(87)35(16-17-44(82)83)65-47(84)28(3)61/h12-15,27-31,34-42,45-46,75-80,98H,7-11,16-26,60-61H2,1-6H3,(H,62,85)(H,63,86)(H,64,81)(H,65,84)(H,66,88)(H,67,89)(H,68,90)(H,69,92)(H,70,87)(H,71,93)(H,72,91)(H,73,94)(H,82,83)(H,96,97)/t28-,29-,30+,31+,34-,35-,36-,37-,38-,39-,40-,41-,42-,45-,46-/m0/s1

InChIKey

KOZHTFIHQLGTBP-RFIUVFFISA-N

Compound name

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

Related CIDs

• CID 16073113