Sedvvsssmsytft

Structural Information

Molecular Formula

C₆₅H₉₈N₁₄O₂₇S

SMILES

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

InChI

InChI=1S/C65H98N14O27S/c1-29(2)48(77-63(103)49(30(3)4)76-57(97)41(23-47(90)91)70-53(93)37(17-18-46(88)89)67-52(92)36(66)24-80)62(102)75-45(28-84)61(101)74-44(27-83)60(100)73-42(25-81)58(98)68-38(19-20-107-7)54(94)72-43(26-82)59(99)69-39(22-34-13-15-35(87)16-14-34)55(95)78-50(31(5)85)64(104)71-40(21-33-11-9-8-10-12-33)56(96)79-51(32(6)86)65(105)106/h8-16,29-32,36-45,48-51,80-87H,17-28,66H2,1-7H3,(H,67,92)(H,68,98)(H,69,99)(H,70,93)(H,71,104)(H,72,94)(H,73,100)(H,74,101)(H,75,102)(H,76,97)(H,77,103)(H,78,95)(H,79,96)(H,88,89)(H,90,91)(H,105,106)/t31-,32-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,48+,49+,50+,51+/m1/s1

InChIKey

BPWVGUIQEHGWBE-WUQDWGSOSA-N

Compound name

(4S)-4-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-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]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-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]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186502