Nh2-his171-leu-lys-thr-ala-val-gln-met-ala-val-phe-ile-his-asn-phe-lys-arg187-conh2

Structural Information

Molecular Formula

C₉₄H₁₅₁N₂₉O₂₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C94H151N29O20S/c1-13-52(8)75(92(142)119-69(43-59-46-104-48-107-59)87(137)117-70(44-72(99)126)88(138)116-67(40-56-25-16-14-17-26-56)86(136)111-62(29-20-22-35-95)82(132)110-61(77(100)127)31-24-37-105-94(101)102)122-89(139)68(41-57-27-18-15-19-28-57)118-91(141)74(51(6)7)121-78(128)53(9)108-81(131)65(34-38-144-12)113-83(133)64(32-33-71(98)125)114-90(140)73(50(4)5)120-79(129)54(10)109-93(143)76(55(11)124)123-84(134)63(30-21-23-36-96)112-85(135)66(39-49(2)3)115-80(130)60(97)42-58-45-103-47-106-58/h14-19,25-28,45-55,60-70,73-76,124H,13,20-24,29-44,95-97H2,1-12H3,(H2,98,125)(H2,99,126)(H2,100,127)(H,103,106)(H,104,107)(H,108,131)(H,109,143)(H,110,132)(H,111,136)(H,112,135)(H,113,133)(H,114,140)(H,115,130)(H,116,138)(H,117,137)(H,118,141)(H,119,142)(H,120,129)(H,121,128)(H,122,139)(H,123,134)(H4,101,102,105)/t52-,53-,54-,55+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-,74-,75-,76-/m0/s1

InChIKey

QMOCBKJEVASUEX-WSFOUUQFSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]pentanediamide

Related CIDs

• CID 16131660