Ddsvvsaamsysya

Structural Information

Molecular Formula

C₆₂H₉₂N₁₄O₂₅S

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](CO)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/C62H92N14O25S/c1-27(2)47(76-61(99)48(28(3)4)75-59(97)44(26-80)73-55(93)40(22-46(85)86)68-51(89)36(63)21-45(83)84)60(98)74-41(23-77)56(94)65-29(5)49(87)64-30(6)50(88)67-37(17-18-102-8)52(90)71-42(24-78)57(95)70-39(20-33-11-15-35(82)16-12-33)54(92)72-43(25-79)58(96)69-38(53(91)66-31(7)62(100)101)19-32-9-13-34(81)14-10-32/h9-16,27-31,36-44,47-48,77-82H,17-26,63H2,1-8H3,(H,64,87)(H,65,94)(H,66,91)(H,67,88)(H,68,89)(H,69,96)(H,70,95)(H,71,90)(H,72,92)(H,73,93)(H,74,98)(H,75,97)(H,76,99)(H,83,84)(H,85,86)(H,100,101)/t29-,30-,31-,36-,37-,38-,39-,40-,41-,42-,43-,44-,47-,48-/m0/s1

InChIKey

QEAPJAORURGPLP-JWALLFOXSA-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-[[(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-hydroxy-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 16186468