Ddsvvaamsysya

Structural Information

Molecular Formula

C₅₉H₈₇N₁₃O₂₃S

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=C(C=C2)O)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/C59H87N13O23S/c1-26(2)45(72-58(93)46(27(3)4)71-56(91)42(25-75)70-53(88)39(22-44(80)81)65-49(84)35(60)21-43(78)79)57(92)62-28(5)47(82)61-29(6)48(83)64-36(17-18-96-8)50(85)68-40(23-73)54(89)67-38(20-32-11-15-34(77)16-12-32)52(87)69-41(24-74)55(90)66-37(51(86)63-30(7)59(94)95)19-31-9-13-33(76)14-10-31/h9-16,26-30,35-42,45-46,73-77H,17-25,60H2,1-8H3,(H,61,82)(H,62,92)(H,63,86)(H,64,83)(H,65,84)(H,66,90)(H,67,89)(H,68,85)(H,69,87)(H,70,88)(H,71,91)(H,72,93)(H,78,79)(H,80,81)(H,94,95)/t28-,29-,30-,35-,36-,37-,38-,39-,40-,41-,42-,45-,46-/m0/s1

InChIKey

OZPREXWVOCWWBN-SLEKEQLKSA-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]-3-(4-hydroxyphenyl)-1-oxopropan-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 16072932