Nh2-ile-ile-tyr-pro-gly-thr-leu-trp-cys-gly-his-gly-asn-lys-ser-oh

Structural Information

Molecular Formula

C₇₅H₁₁₂N₂₀O₂₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC5=CN=CN5)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)N

InChI

InChI=1S/C75H112N20O20S/c1-8-39(5)61(78)71(110)94-62(40(6)9-2)72(111)90-53(26-42-19-21-45(98)22-20-42)74(113)95-24-14-18-56(95)70(109)83-34-60(102)93-63(41(7)97)73(112)89-49(25-38(3)4)67(106)88-50(27-43-30-80-47-16-11-10-15-46(43)47)68(107)92-55(36-116)65(104)82-33-58(100)85-51(28-44-31-79-37-84-44)64(103)81-32-59(101)86-52(29-57(77)99)69(108)87-48(17-12-13-23-76)66(105)91-54(35-96)75(114)115/h10-11,15-16,19-22,30-31,37-41,48-56,61-63,80,96-98,116H,8-9,12-14,17-18,23-29,32-36,76,78H2,1-7H3,(H2,77,99)(H,79,84)(H,81,103)(H,82,104)(H,83,109)(H,85,100)(H,86,101)(H,87,108)(H,88,106)(H,89,112)(H,90,111)(H,91,105)(H,92,107)(H,93,102)(H,94,110)(H,114,115)/t39-,40-,41+,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-/m0/s1

InChIKey

PXCRHRNBHRTKDN-AYOUIJMLSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid

Related CIDs

• CID 16130687