Nh2-gln-glu-phe-phe-gly-leu-asn-asn-cys-ser-ser-ser-asn-arg-leu-asp-cooh

Structural Information

Molecular Formula

C₇₆H₁₁₅N₂₃O₂₈S

SMILES

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

InChI

InChI=1S/C76H115N23O28S/c1-35(2)22-42(86-58(107)30-85-62(113)44(24-37-12-7-5-8-13-37)90-67(118)45(25-38-14-9-6-10-15-38)91-64(115)41(18-20-59(108)109)87-61(112)39(77)17-19-54(78)103)65(116)92-47(27-56(80)105)69(120)93-48(28-57(81)106)70(121)99-53(34-128)74(125)98-52(33-102)73(124)97-51(32-101)72(123)96-50(31-100)71(122)94-46(26-55(79)104)68(119)88-40(16-11-21-84-76(82)83)63(114)89-43(23-36(3)4)66(117)95-49(75(126)127)29-60(110)111/h5-10,12-15,35-36,39-53,100-102,128H,11,16-34,77H2,1-4H3,(H2,78,103)(H2,79,104)(H2,80,105)(H2,81,106)(H,85,113)(H,86,107)(H,87,112)(H,88,119)(H,89,114)(H,90,118)(H,91,115)(H,92,116)(H,93,120)(H,94,122)(H,95,117)(H,96,123)(H,97,124)(H,98,125)(H,99,121)(H,108,109)(H,110,111)(H,126,127)(H4,82,83,84)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1

InChIKey

GPTFLALYIBLDFW-YXHNIILOSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid

Related CIDs

• CID 16131985