Peptide 360-373

Structural Information

Molecular Formula

C₇₇H₁₂₁N₂₉O₂₄S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C77H121N29O24S/c1-36(60(115)95-48(12-8-26-91-77(86)87)67(122)106-59(38(3)108)73(128)99-45(9-4-5-23-78)65(120)102-52(30-56(80)111)70(125)103-53(31-57(81)112)71(126)104-54(74(129)130)28-40-15-19-43(110)20-16-40)93-63(118)46(10-6-24-89-75(82)83)97-72(127)55(33-107)105-69(124)50(27-39-13-17-42(109)18-14-39)100-61(116)37(2)94-68(123)51(29-41-32-88-35-92-41)101-66(121)49(21-22-58(113)114)98-64(119)47(11-7-25-90-76(84)85)96-62(117)44(79)34-131/h13-20,32,35-38,44-55,59,107-110,131H,4-12,21-31,33-34,78-79H2,1-3H3,(H2,80,111)(H2,81,112)(H,88,92)(H,93,118)(H,94,123)(H,95,115)(H,96,117)(H,97,127)(H,98,119)(H,99,128)(H,100,116)(H,101,121)(H,102,120)(H,103,125)(H,104,126)(H,105,124)(H,106,122)(H,113,114)(H,129,130)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)/t36-,37-,38+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1

InChIKey

VQQDBFABRQNMNY-UCSZLESZSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133918