Gly-met-trp-ser-lys-ile-leu-gly-his-leu-ile-arg-nh2

Structural Information

Molecular Formula

C₆₅H₁₀₈N₂₀O₁₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCSC)NC(=O)CN

InChI

InChI=1S/C65H108N20O13S/c1-10-37(7)53(63(97)78-43(55(68)89)20-16-23-72-65(69)70)85-61(95)47(26-36(5)6)80-60(94)49(28-40-31-71-34-75-40)77-52(88)32-74-56(90)46(25-35(3)4)82-64(98)54(38(8)11-2)84-58(92)44(19-14-15-22-66)79-62(96)50(33-86)83-59(93)48(27-39-30-73-42-18-13-12-17-41(39)42)81-57(91)45(21-24-99-9)76-51(87)29-67/h12-13,17-18,30-31,34-38,43-50,53-54,73,86H,10-11,14-16,19-29,32-33,66-67H2,1-9H3,(H2,68,89)(H,71,75)(H,74,90)(H,76,87)(H,77,88)(H,78,97)(H,79,96)(H,80,94)(H,81,91)(H,82,98)(H,83,93)(H,84,92)(H,85,95)(H4,69,70,72)/t37-,38-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1

InChIKey

JNSNNCMVJRWDDG-VVHXQODASA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-N-[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]hexanamide

Related CIDs

• CID 71588082