Ddsvvcaamsysya

Structural Information

Molecular Formula

C₆₂H₉₂N₁₄O₂₄S₂

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](CS)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/C62H92N14O24S2/c1-27(2)47(76-61(98)48(28(3)4)75-58(95)43(25-79)73-55(92)40(22-46(84)85)68-51(88)36(63)21-45(82)83)60(97)74-44(26-101)59(96)65-29(5)49(86)64-30(6)50(87)67-37(17-18-102-8)52(89)71-41(23-77)56(93)70-39(20-33-11-15-35(81)16-12-33)54(91)72-42(24-78)57(94)69-38(53(90)66-31(7)62(99)100)19-32-9-13-34(80)14-10-32/h9-16,27-31,36-44,47-48,77-81,101H,17-26,63H2,1-8H3,(H,64,86)(H,65,96)(H,66,90)(H,67,87)(H,68,88)(H,69,94)(H,70,93)(H,71,89)(H,72,91)(H,73,92)(H,74,97)(H,75,95)(H,76,98)(H,82,83)(H,84,85)(H,99,100)/t29-,30-,31-,36-,37-,38-,39-,40-,41-,42-,43-,44-,47-,48-/m0/s1

InChIKey

JKLALNIIFPXHPH-JWALLFOXSA-N

Compound name

(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-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]-1-oxo-3-sulfanylpropan-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 16186467