Ddsvvaamsysfa

Structural Information

Molecular Formula

C₅₉H₈₇N₁₃O₂₂S

SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C59H87N13O22S/c1-27(2)45(72-58(92)46(28(3)4)71-56(90)42(26-75)70-53(87)39(23-44(79)80)65-49(83)35(60)22-43(77)78)57(91)62-29(5)47(81)61-30(6)48(82)64-36(18-19-95-8)50(84)68-40(24-73)54(88)67-38(21-33-14-16-34(76)17-15-33)52(86)69-41(25-74)55(89)66-37(20-32-12-10-9-11-13-32)51(85)63-31(7)59(93)94/h9-17,27-31,35-42,45-46,73-76H,18-26,60H2,1-8H3,(H,61,81)(H,62,91)(H,63,85)(H,64,82)(H,65,83)(H,66,89)(H,67,88)(H,68,84)(H,69,86)(H,70,87)(H,71,90)(H,72,92)(H,77,78)(H,79,80)(H,93,94)/t29-,30-,31-,35-,36-,37-,38-,39-,40-,41-,42-,45-,46-/m0/s1

InChIKey

WZNQDAXHYTVPPM-BIKPYUIJSA-N

Compound name

(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-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]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16072933