(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-1-[(2s)-6-[[(2s)-2-[[(2s)-2-[[(2s)-3-(3a,7a-dihydro-1h-indol-3-yl)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Structural Information

Molecular Formula

C₈₇H₁₁₁N₁₇O₁₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC6=CNC7C6C=CC=C7)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)N)O

InChI

InChI=1S/C87H111N17O16/c1-50(105)76(85(117)101-73(46-56-49-95-67-20-7-4-17-62(56)67)83(115)102-74(87(119)120)43-53-29-35-59(108)36-30-53)103-84(116)75-24-14-40-104(75)86(118)70(98-80(112)69(22-9-12-38-89)97-82(114)72(42-52-27-33-58(107)34-28-52)100-78(110)64(91)45-55-48-94-66-19-6-3-16-61(55)66)23-10-13-39-92-79(111)68(21-8-11-37-88)96-81(113)71(41-51-25-31-57(106)32-26-51)99-77(109)63(90)44-54-47-93-65-18-5-2-15-60(54)65/h2-7,15-20,25-36,47-50,60,63-65,68-76,93-95,105-108H,8-14,21-24,37-46,88-91H2,1H3,(H,92,111)(H,96,113)(H,97,114)(H,98,112)(H,99,109)(H,100,110)(H,101,117)(H,102,115)(H,103,116)(H,119,120)/t50-,60?,63+,64+,65?,68+,69+,70+,71+,72+,73+,74+,75+,76+/m1/s1

InChIKey

YAPOMXSMHATXTH-ZLYYQVMPSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-6-[[(2S)-2-[[(2S)-2-[[(2S)-3-(3a,7a-dihydro-1H-indol-3-yl)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 129909606