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

Structural Information

Molecular Formula

C₇₅H₁₀₈N₂₂O₂₅S

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)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)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C75H108N22O25S/c1-37(2)25-45(85-59(105)32-84-62(109)46(27-39-15-8-4-9-16-39)89-66(113)47(28-40-17-10-5-11-18-40)90-64(111)43(21-23-60(106)107)87-63(110)42(20-22-55(77)101)86-61(108)41(76)26-38-13-6-3-7-14-38)65(112)91-49(30-57(79)103)68(115)92-50(31-58(80)104)69(116)97-54(36-123)73(120)96-53(35-100)72(119)95-52(34-99)71(118)94-51(33-98)70(117)93-48(29-56(78)102)67(114)88-44(74(121)122)19-12-24-83-75(81)82/h3-11,13-18,37,41-54,98-100,123H,12,19-36,76H2,1-2H3,(H2,77,101)(H2,78,102)(H2,79,103)(H2,80,104)(H,84,109)(H,85,105)(H,86,108)(H,87,110)(H,88,114)(H,89,113)(H,90,111)(H,91,112)(H,92,115)(H,93,117)(H,94,118)(H,95,119)(H,96,120)(H,97,116)(H,106,107)(H,121,122)(H4,81,82,83)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1

InChIKey

VMTRQBFKWOLJAU-IFQLLNRESA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131837