Nh2-val-ser-tyr-ser-glu-leu-thr-ser-tyr-tyr-met-arg-cooh

Structural Information

Molecular Formula

C₆₇H₉₉N₁₅O₂₂S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N)O

InChI

InChI=1S/C67H99N15O22S/c1-33(2)26-45(75-55(92)42(21-22-52(90)91)72-61(98)49(30-83)79-59(96)48(29-38-13-19-41(89)20-14-38)78-62(99)50(31-84)80-64(101)53(68)34(3)4)60(97)82-54(35(5)86)65(102)81-51(32-85)63(100)77-47(28-37-11-17-40(88)18-12-37)58(95)76-46(27-36-9-15-39(87)16-10-36)57(94)73-43(23-25-105-6)56(93)74-44(66(103)104)8-7-24-71-67(69)70/h9-20,33-35,42-51,53-54,83-89H,7-8,21-32,68H2,1-6H3,(H,72,98)(H,73,94)(H,74,93)(H,75,92)(H,76,95)(H,77,100)(H,78,99)(H,79,96)(H,80,101)(H,81,102)(H,82,97)(H,90,91)(H,103,104)(H4,69,70,71)/t35-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,53+,54+/m1/s1

InChIKey

BQFATUIAZDGRJV-ZMYYYLEPSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 25086294